6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C19H30ClN5O3 — CID 70037533

IUPAC6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)CCCCCN1CCC(CNC(=O)c2cc(Cl)c(N)[nH]c2=O)CC1
InChIInChI=1S/C19H30ClN5O3/c1-22-16(26)5-3-2-4-8-25-9-6-13(7-10-25)12-23-18(27)14-11-15(20)17(21)24-19(14)28/h11,13H,2-10,12H2,1H3,(H,22,26)(H,23,27)(H3,21,24,28)
InChIKeyMYVMIVQWXJHUMJ-UHFFFAOYSA-N
MW411.93 g/mol
LogP1.36
Rot. Bonds9

About 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70037533) has the molecular formula C19H30ClN5O3 and a molecular weight of 411.93 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70037533
Molecular FormulaC19H30ClN5O3
Molecular Weight411.93 g/mol
Exact Mass411.20
IUPAC Name6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)CCCCCN1CCC(CNC(=O)c2cc(Cl)c(N)[nH]c2=O)CC1
InChIInChI=1S/C19H30ClN5O3/c1-22-16(26)5-3-2-4-8-25-9-6-13(7-10-25)12-23-18(27)14-11-15(20)17(21)24-19(14)28/h11,13H,2-10,12H2,1H3,(H,22,26)(H,23,27)(H3,21,24,28)
InChIKeyMYVMIVQWXJHUMJ-UHFFFAOYSA-N
XLogP1.36
TPSA120.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
CID 22262647
6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262585
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-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262625
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-[(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-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(bromomethyl)-3,5-dimethylbenzene
CID 70035871
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
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-[[3-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262639
6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 87976917
4-amino-5-chloro-N-[[1-[5-(1,3-dioxoisoindol-2-yl)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54379569

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 70037533) is 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CNC(=O)CCCCCN1CCC(CNC(=O)c2cc(Cl)c(N)[nH]c2=O)CC1.
What is the InChIKey of 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MYVMIVQWXJHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN5O3/c1-22-16(26)5-3-2-4-8-25-9-6-13(7-10-25)12-23-18(27)14-11-15(20)17(21)24-19(14)28/h11,13H,2-10,12H2,1H3,(H,22,26)(H,23,27)(H3,21,24,28).
What are the key properties of 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 1.36, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70037533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).