2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C20H27N5O — CID 154746519

IUPAC2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H27N5O/c1-15(2)23-19-18(4-3-9-22-19)20(26)24-17-7-12-25(13-8-17)14-16-5-10-21-11-6-16/h3-6,9-11,15,17H,7-8,12-14H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyVBDCRRHYCWJDLF-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.69
Rot. Bonds6

About 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 154746519) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID154746519
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)Nc1ncccc1C(=O)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H27N5O/c1-15(2)23-19-18(4-3-9-22-19)20(26)24-17-7-12-25(13-8-17)14-16-5-10-21-11-6-16/h3-6,9-11,15,17H,7-8,12-14H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyVBDCRRHYCWJDLF-UHFFFAOYSA-N
XLogP2.69
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 44761338
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
2-(propan-2-ylamino)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyridine-3-carboxamide
CID 95780447
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 138034135
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
N-(2-methylpiperidin-4-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 120602068
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129368215
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 72911709

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 154746519) is 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is CC(C)Nc1ncccc1C(=O)NC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is VBDCRRHYCWJDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15(2)23-19-18(4-3-9-22-19)20(26)24-17-7-12-25(13-8-17)14-16-5-10-21-11-6-16/h3-6,9-11,15,17H,7-8,12-14H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154746519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).