5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid

C18H21ClN4O2 — CID 136552683

IUPAC5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CCN(Cc3ccncc3)CC2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O2/c19-16-9-15(18(24)25)11-22-17(16)21-10-13-3-7-23(8-4-13)12-14-1-5-20-6-2-14/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2,(H,21,22)(H,24,25)
InChIKeyXLHIPIJHOZIUMW-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.15
Rot. Bonds6

About 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid

5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid (PubChem CID 136552683) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid
PubChem CID136552683
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CCN(Cc3ccncc3)CC2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O2/c19-16-9-15(18(24)25)11-22-17(16)21-10-13-3-7-23(8-4-13)12-14-1-5-20-6-2-14/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2,(H,21,22)(H,24,25)
InChIKeyXLHIPIJHOZIUMW-UHFFFAOYSA-N
XLogP3.15
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 162627567
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 79071332
4-chloro-3-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895983
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
CID 10186514
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide
CID 133366936
3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 114046183
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid (CID 136552683) is 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid is O=C(O)c1cnc(NCC2CCN(Cc3ccncc3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid?
The InChIKey is XLHIPIJHOZIUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-16-9-15(18(24)25)11-22-17(16)21-10-13-3-7-23(8-4-13)12-14-1-5-20-6-2-14/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2,(H,21,22)(H,24,25).
What are the key properties of 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid?
5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid has a molecular weight of 360.85 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 136552683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).