6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide

C18H20BrClN4O — CID 133366936

IUPAC6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC2CCN(Cc3ccc(Br)cc3)CC2)c(Cl)c1
InChIInChI=1S/C18H20BrClN4O/c19-14-3-1-12(2-4-14)11-24-7-5-15(6-8-24)23-18-16(20)9-13(10-22-18)17(21)25/h1-4,9-10,15H,5-8,11H2,(H2,21,25)(H,22,23)
InChIKeyAVNFJEIUOXKHOE-UHFFFAOYSA-N
MW423.74 g/mol
LogP3.67
Rot. Bonds5

About 6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide

6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide (PubChem CID 133366936) has the molecular formula C18H20BrClN4O and a molecular weight of 423.74 g/mol. Its IUPAC name is 6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide
PubChem CID133366936
Molecular FormulaC18H20BrClN4O
Molecular Weight423.74 g/mol
Exact Mass422.05
IUPAC Name6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC2CCN(Cc3ccc(Br)cc3)CC2)c(Cl)c1
InChIInChI=1S/C18H20BrClN4O/c19-14-3-1-12(2-4-14)11-24-7-5-15(6-8-24)23-18-16(20)9-13(10-22-18)17(21)25/h1-4,9-10,15H,5-8,11H2,(H2,21,25)(H,22,23)
InChIKeyAVNFJEIUOXKHOE-UHFFFAOYSA-N
XLogP3.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.74
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
(E)-3-[5-chloro-6-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87636956
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide
CID 95140836
[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273342
3-[5-chloro-6-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91145604
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
3-[5-chloro-6-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91156598
1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine
CID 119128198
3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 141133485
4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 87761886
5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133411832

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide (CID 133366936) is 6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide is NC(=O)c1cnc(NC2CCN(Cc3ccc(Br)cc3)CC2)c(Cl)c1.
What is the InChIKey of 6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide?
The InChIKey is AVNFJEIUOXKHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN4O/c19-14-3-1-12(2-4-14)11-24-7-5-15(6-8-24)23-18-16(20)9-13(10-22-18)17(21)25/h1-4,9-10,15H,5-8,11H2,(H2,21,25)(H,22,23).
What are the key properties of 6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide?
6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide has a molecular weight of 423.74 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 133366936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).