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

C17H21N5O — CID 58440022

IUPAC4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cc2ccccn2)cc1N[C@H]1CCCNC1
InChIInChI=1S/C17H21N5O/c18-17(23)15-11-21-14(8-12-4-1-2-7-20-12)9-16(15)22-13-5-3-6-19-10-13/h1-2,4,7,9,11,13,19H,3,5-6,8,10H2,(H2,18,23)(H,21,22)/t13-/m0/s1
InChIKeyZAQHAWAAWYUQRR-ZDUSSCGKSA-N
MW311.39 g/mol
LogP1.33
Rot. Bonds5

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

4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 58440022) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID58440022
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cc2ccccn2)cc1N[C@H]1CCCNC1
InChIInChI=1S/C17H21N5O/c18-17(23)15-11-21-14(8-12-4-1-2-7-20-12)9-16(15)22-13-5-3-6-19-10-13/h1-2,4,7,9,11,13,19H,3,5-6,8,10H2,(H2,18,23)(H,21,22)/t13-/m0/s1
InChIKeyZAQHAWAAWYUQRR-ZDUSSCGKSA-N
XLogP1.33
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3S,4R)-3-(hydroxymethyl)piperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 58440234
2-(piperidin-3-ylamino)benzamide
CID 63319381
4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 58440215
N-piperidin-3-ylpyridin-2-amine
CID 63321128
6-[(3-fluorophenyl)methyl]-4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyridine-3-carboxamide
CID 58440362
4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide
CID 58440397
4-[[(3S,4R)-1-[5-cyano-4-(methylamino)-2-pyridinyl]-3-fluoropiperidin-4-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 58439968
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
5-nitro-2-(piperidin-3-ylamino)benzamide
CID 63318654
4-[[1-(5-cyanopyrazin-2-yl)piperidin-4-yl]amino]-6-[(5-cyano-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 58440183
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 60940276

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 58440022) is 4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide is NC(=O)c1cnc(Cc2ccccn2)cc1N[C@H]1CCCNC1.
What is the InChIKey of 4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZAQHAWAAWYUQRR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O/c18-17(23)15-11-21-14(8-12-4-1-2-7-20-12)9-16(15)22-13-5-3-6-19-10-13/h1-2,4,7,9,11,13,19H,3,5-6,8,10H2,(H2,18,23)(H,21,22)/t13-/m0/s1.
What are the key properties of 4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-piperidin-3-yl]amino]-6-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58440022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).