6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one

C37H50BrCl2N7O4 — CID 70037499

IUPAC6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one
SMILESCOc1nc(N)c(Cl)cc1CC(=O)CC1CCN(CC(C)C)CC1.Nc1[nH]c(=O)c(C(=O)NCC2CCN(Cc3cccc(Br)c3)CC2)cc1Cl
InChIInChI=1S/C19H22BrClN4O2.C18H28ClN3O2/c20-14-3-1-2-13(8-14)11-25-6-4-12(5-7-25)10-23-18(26)15-9-16(21)17(22)24-19(15)27;1-12(2)11-22-6-4-13(5-7-22)8-15(23)9-14-10-16(19)17(20)21-18(14)24-3/h1-3,8-9,12H,4-7,10-11H2,(H,23,26)(H3,22,24,27);10,12-13H,4-9,11H2,1-3H3,(H2,20,21)
InChIKeyBVBCCQVDOJEKFT-UHFFFAOYSA-N
MW807.66 g/mol
LogP6.21
Rot. Bonds12

About 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one

6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one (PubChem CID 70037499) has the molecular formula C37H50BrCl2N7O4 and a molecular weight of 807.66 g/mol. Its IUPAC name is 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one
PubChem CID70037499
Molecular FormulaC37H50BrCl2N7O4
Molecular Weight807.66 g/mol
Exact Mass805.25
IUPAC Name6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one
SMILESCOc1nc(N)c(Cl)cc1CC(=O)CC1CCN(CC(C)C)CC1.Nc1[nH]c(=O)c(C(=O)NCC2CCN(Cc3cccc(Br)c3)CC2)cc1Cl
InChIInChI=1S/C19H22BrClN4O2.C18H28ClN3O2/c20-14-3-1-2-13(8-14)11-25-6-4-12(5-7-25)10-23-18(26)15-9-16(21)17(22)24-19(15)27;1-12(2)11-22-6-4-13(5-7-22)8-15(23)9-14-10-16(19)17(20)21-18(14)24-3/h1-3,8-9,12H,4-7,10-11H2,(H,23,26)(H3,22,24,27);10,12-13H,4-9,11H2,1-3H3,(H2,20,21)
InChIKeyBVBCCQVDOJEKFT-UHFFFAOYSA-N
XLogP6.21
TPSA159.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.66
LogP ≤ 56.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one with MolForge

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Related Compounds

6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262625
6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262585
6-amino-5-chloro-2-oxo-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 22262678
6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(bromomethyl)-4-methylbenzene
CID 70038123
6-amino-5-chloro-N-[[1-[[3-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262639
6-amino-5-chloro-N-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262634
6-amino-5-chloro-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(bromomethyl)-3,5-dimethylbenzene
CID 70035871
N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62591878
6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene
CID 70036353
2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
CID 22262647
tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
CID 70036260
6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 70037533

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one?
The IUPAC name of 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one (CID 70037499) is 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one.
What is the SMILES notation for 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one?
The canonical SMILES for 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one is COc1nc(N)c(Cl)cc1CC(=O)CC1CCN(CC(C)C)CC1.Nc1[nH]c(=O)c(C(=O)NCC2CCN(Cc3cccc(Br)c3)CC2)cc1Cl.
What is the InChIKey of 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one?
The InChIKey is BVBCCQVDOJEKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrClN4O2.C18H28ClN3O2/c20-14-3-1-2-13(8-14)11-25-6-4-12(5-7-25)10-23-18(26)15-9-16(21)17(22)24-19(15)27;1-12(2)11-22-6-4-13(5-7-22)8-15(23)9-14-10-16(19)17(20)21-18(14)24-3/h1-3,8-9,12H,4-7,10-11H2,(H,23,26)(H3,22,24,27);10,12-13H,4-9,11H2,1-3H3,(H2,20,21).
What are the key properties of 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one?
6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one has a molecular weight of 807.66 g/mol, XLogP of 6.21, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;1-(6-amino-5-chloro-2-methoxy-3-pyridinyl)-3-[1-(2-methylpropyl)piperidin-4-yl]propan-2-one is sourced from PubChem (CID 70037499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).