1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide

C22H31N5O3 — CID 95851858

IUPAC1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2cccn(CC(=O)N(C)C3CCCCC3)c2=O)cnn1C
InChIInChI=1S/C22H31N5O3/c1-15(19-13-23-26(4)16(19)2)24-21(29)18-11-8-12-27(22(18)30)14-20(28)25(3)17-9-6-5-7-10-17/h8,11-13,15,17H,5-7,9-10,14H2,1-4H3,(H,24,29)/t15-/m1/s1
InChIKeyKOMDSILUNOREFD-OAHLLOKOSA-N
MW413.52 g/mol
LogP2.17
Rot. Bonds6

About 1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide

1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 95851858) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID95851858
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCc1c([C@@H](C)NC(=O)c2cccn(CC(=O)N(C)C3CCCCC3)c2=O)cnn1C
InChIInChI=1S/C22H31N5O3/c1-15(19-13-23-26(4)16(19)2)24-21(29)18-11-8-12-27(22(18)30)14-20(28)25(3)17-9-6-5-7-10-17/h8,11-13,15,17H,5-7,9-10,14H2,1-4H3,(H,24,29)/t15-/m1/s1
InChIKeyKOMDSILUNOREFD-OAHLLOKOSA-N
XLogP2.17
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide (CID 95851858) is 1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide is Cc1c([C@@H](C)NC(=O)c2cccn(CC(=O)N(C)C3CCCCC3)c2=O)cnn1C.
What is the InChIKey of 1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is KOMDSILUNOREFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-15(19-13-23-26(4)16(19)2)24-21(29)18-11-8-12-27(22(18)30)14-20(28)25(3)17-9-6-5-7-10-17/h8,11-13,15,17H,5-7,9-10,14H2,1-4H3,(H,24,29)/t15-/m1/s1.
What are the key properties of 1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide?
1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 95851858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).