6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

C20H29N5O2 — CID 25294885

IUPAC6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1ccc(CN2CCC(C)CC2)[nH]c1=O
InChIInChI=1S/C20H29N5O2/c1-13-7-9-25(10-8-13)12-16-5-6-17(20(27)22-16)19(26)21-11-18-14(2)23-24(4)15(18)3/h5-6,13H,7-12H2,1-4H3,(H,21,26)(H,22,27)
InChIKeyQSEFMNUCQFVXQR-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.89
Rot. Bonds5

About 6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 25294885) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID25294885
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1ccc(CN2CCC(C)CC2)[nH]c1=O
InChIInChI=1S/C20H29N5O2/c1-13-7-9-25(10-8-13)12-16-5-6-17(20(27)22-16)19(26)21-11-18-14(2)23-24(4)15(18)3/h5-6,13H,7-12H2,1-4H3,(H,21,26)(H,22,27)
InChIKeyQSEFMNUCQFVXQR-UHFFFAOYSA-N
XLogP1.89
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817602
5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 46989245
5-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 53626370
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
2-hydroxy-N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]nicotinamide
CID 70782733
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 72048491
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 72051379
3-chloro-5-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72142614
4-[3-(3,5-Dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 72142636
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72841184
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 25294885) is 6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1ccc(CN2CCC(C)CC2)[nH]c1=O.
What is the InChIKey of 6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is QSEFMNUCQFVXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13-7-9-25(10-8-13)12-16-5-6-17(20(27)22-16)19(26)21-11-18-14(2)23-24(4)15(18)3/h5-6,13H,7-12H2,1-4H3,(H,21,26)(H,22,27).
What are the key properties of 6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpiperidin-1-yl)methyl]-2-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25294885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).