2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C22H32N6O — CID 110085261

IUPAC2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1c(CN2CCC(c3ccc(C(=O)NC4CCCC4)c(N)n3)CC2)cnn1C
InChIInChI=1S/C22H32N6O/c1-15-17(13-24-27(15)2)14-28-11-9-16(10-12-28)20-8-7-19(21(23)26-20)22(29)25-18-5-3-4-6-18/h7-8,13,16,18H,3-6,9-12,14H2,1-2H3,(H2,23,26)(H,25,29)
InChIKeyLDTGHTRBCUFTHH-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.76
Rot. Bonds5

About 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide

2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 110085261) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID110085261
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1c(CN2CCC(c3ccc(C(=O)NC4CCCC4)c(N)n3)CC2)cnn1C
InChIInChI=1S/C22H32N6O/c1-15-17(13-24-27(15)2)14-28-11-9-16(10-12-28)20-8-7-19(21(23)26-20)22(29)25-18-5-3-4-6-18/h7-8,13,16,18H,3-6,9-12,14H2,1-2H3,(H2,23,26)(H,25,29)
InChIKeyLDTGHTRBCUFTHH-UHFFFAOYSA-N
XLogP2.76
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-2-amino-N-cyclopentylpyridine-3-carboxamide
CID 92640073
2-amino-6-(1-benzoylpiperidin-4-yl)-N-cyclopentylpyridine-3-carboxamide
CID 92636669
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
N-cyclohexyl-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852151
(3aS,6aS)-N-cyclopentyl-1'-[(1,5-dimethylpyrazol-4-yl)methyl]spiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-4,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155836237
N-cyclohexyl-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617014
N-cycloheptyl-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617086
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6-methyl-N-(6-methyl-2-pyridinyl)pyridin-4-amine
CID 110093148
N-[2-(cycloheptylamino)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 81482919
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 115702967
[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 110085261) is 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1c(CN2CCC(c3ccc(C(=O)NC4CCCC4)c(N)n3)CC2)cnn1C.
What is the InChIKey of 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is LDTGHTRBCUFTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-15-17(13-24-27(15)2)14-28-11-9-16(10-12-28)20-8-7-19(21(23)26-20)22(29)25-18-5-3-4-6-18/h7-8,13,16,18H,3-6,9-12,14H2,1-2H3,(H2,23,26)(H,25,29).
What are the key properties of 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-6-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110085261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).