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

C15H24N4O — CID 63855115

IUPAC2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)NCC1CCCCN1c1ncccc1C(N)=O
InChIInChI=1S/C15H24N4O/c1-11(2)18-10-12-6-3-4-9-19(12)15-13(14(16)20)7-5-8-17-15/h5,7-8,11-12,18H,3-4,6,9-10H2,1-2H3,(H2,16,20)
InChIKeyGMHOIAZEGBUBLV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.54
Rot. Bonds5

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

2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 63855115) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID63855115
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)NCC1CCCCN1c1ncccc1C(N)=O
InChIInChI=1S/C15H24N4O/c1-11(2)18-10-12-6-3-4-9-19(12)15-13(14(16)20)7-5-8-17-15/h5,7-8,11-12,18H,3-4,6,9-10H2,1-2H3,(H2,16,20)
InChIKeyGMHOIAZEGBUBLV-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone
CID 114055606
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 102786999
2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 62000482
2-[4-[[[(2R)-2-methylsulfanylpropanoyl]amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 95633448
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
2-methyl-N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62593221
1-tert-butyl-3-[2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]pyrazin-2-one
CID 62928711
[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
CID 61406906
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
[2-(2-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 3192324
1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine
CID 114055804

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 63855115) is 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide is CC(C)NCC1CCCCN1c1ncccc1C(N)=O.
What is the InChIKey of 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is GMHOIAZEGBUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)18-10-12-6-3-4-9-19(12)15-13(14(16)20)7-5-8-17-15/h5,7-8,11-12,18H,3-4,6,9-10H2,1-2H3,(H2,16,20).
What are the key properties of 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide?
2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 63855115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).