N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide

C20H27N5O3 — CID 92635560

IUPACN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1
InChIInChI=1S/C20H27N5O3/c1-14(17-12-23(3)22-15(17)2)21-20(28)16-7-8-18(26)25(11-16)13-19(27)24-9-5-4-6-10-24/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,21,28)/t14-/m0/s1
InChIKeyOEEGUQUCLYDUJH-AWEZNQCLSA-N
MW385.47 g/mol
LogP1.39
Rot. Bonds5

About N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide

N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 92635560) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID92635560
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1nn(C)cc1[C@H](C)NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1
InChIInChI=1S/C20H27N5O3/c1-14(17-12-23(3)22-15(17)2)21-20(28)16-7-8-18(26)25(11-16)13-19(27)24-9-5-4-6-10-24/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,21,28)/t14-/m0/s1
InChIKeyOEEGUQUCLYDUJH-AWEZNQCLSA-N
XLogP1.39
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 92635560) is N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide is Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc(=O)n(CC(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is OEEGUQUCLYDUJH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14(17-12-23(3)22-15(17)2)21-20(28)16-7-8-18(26)25(11-16)13-19(27)24-9-5-4-6-10-24/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,21,28)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 92635560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).