4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C18H23N5O2 — CID 58440234

IUPAC4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cc2ccccn2)cc1N[C@@H]1CCNC[C@@H]1CO
InChIInChI=1S/C18H23N5O2/c19-18(25)15-10-22-14(7-13-3-1-2-5-21-13)8-17(15)23-16-4-6-20-9-12(16)11-24/h1-3,5,8,10,12,16,20,24H,4,6-7,9,11H2,(H2,19,25)(H,22,23)/t12-,16-/m1/s1
InChIKeyAYZRDSHDQXDYPK-MLGOLLRUSA-N
MW341.42 g/mol
LogP0.55
Rot. Bonds6

About 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide

4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 58440234) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID58440234
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cc2ccccn2)cc1N[C@@H]1CCNC[C@@H]1CO
InChIInChI=1S/C18H23N5O2/c19-18(25)15-10-22-14(7-13-3-1-2-5-21-13)8-17(15)23-16-4-6-20-9-12(16)11-24/h1-3,5,8,10,12,16,20,24H,4,6-7,9,11H2,(H2,19,25)(H,22,23)/t12-,16-/m1/s1
InChIKeyAYZRDSHDQXDYPK-MLGOLLRUSA-N
XLogP0.55
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 58440022
6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
CID 58440362
4-[[(3S,4R)-1-[5-cyano-4-(methylamino)-2-pyridinyl]-3-fluoropiperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 58439968
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-[(5-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 58440304
4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide
CID 58440397
4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide
CID 58440288
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 58440183
4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride
CID 67371252
4-[[(1R,2S,4R)-2-(hydroxymethyl)-4-phenylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291979

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 58440234) is 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide is NC(=O)c1cnc(Cc2ccccn2)cc1N[C@@H]1CCNC[C@@H]1CO.
What is the InChIKey of 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AYZRDSHDQXDYPK-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-18(25)15-10-22-14(7-13-3-1-2-5-21-13)8-17(15)23-16-4-6-20-9-12(16)11-24/h1-3,5,8,10,12,16,20,24H,4,6-7,9,11H2,(H2,19,25)(H,22,23)/t12-,16-/m1/s1.
What are the key properties of 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58440234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).