2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide

C15H24N4O — CID 63241496

IUPAC2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)NCC1CCCN(c2ncccc2C(N)=O)C1
InChIInChI=1S/C15H24N4O/c1-11(2)18-9-12-5-4-8-19(10-12)15-13(14(16)20)6-3-7-17-15/h3,6-7,11-12,18H,4-5,8-10H2,1-2H3,(H2,16,20)
InChIKeyBNDMGLVXAYPOOR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.39
Rot. Bonds5

About 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide

2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 63241496) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID63241496
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)NCC1CCCN(c2ncccc2C(N)=O)C1
InChIInChI=1S/C15H24N4O/c1-11(2)18-9-12-5-4-8-19(10-12)15-13(14(16)20)6-3-7-17-15/h3,6-7,11-12,18H,4-5,8-10H2,1-2H3,(H2,16,20)
InChIKeyBNDMGLVXAYPOOR-UHFFFAOYSA-N
XLogP1.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63241227
2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63855115
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate
CID 133468919
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869833
2-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95869834
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 113243984
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95633448
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 63241718
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 63241496) is 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide is CC(C)NCC1CCCN(c2ncccc2C(N)=O)C1.
What is the InChIKey of 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is BNDMGLVXAYPOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)18-9-12-5-4-8-19(10-12)15-13(14(16)20)6-3-7-17-15/h3,6-7,11-12,18H,4-5,8-10H2,1-2H3,(H2,16,20).
What are the key properties of 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 63241496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).