6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

C27H25N5O4 — CID 140692257

IUPAC6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc([C@H](Cc2ccccc2)C2(C(N)=O)OCCO2)nc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C27H25N5O4/c28-24(33)20-11-12-23(30-25(20)32-14-13-22(31-32)19-9-5-2-6-10-19)21(17-18-7-3-1-4-8-18)27(26(29)34)35-15-16-36-27/h1-14,21H,15-17H2,(H2,28,33)(H2,29,34)/t21-/m0/s1
InChIKeyOMLKKPONPYVGEN-NRFANRHFSA-N
MW483.53 g/mol
LogP2.59
Rot. Bonds8

About 6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 140692257) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID140692257
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Name6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc([C@H](Cc2ccccc2)C2(C(N)=O)OCCO2)nc1-n1ccc(-c2ccccc2)n1
InChIInChI=1S/C27H25N5O4/c28-24(33)20-11-12-23(30-25(20)32-14-13-22(31-32)19-9-5-2-6-10-19)21(17-18-7-3-1-4-8-18)27(26(29)34)35-15-16-36-27/h1-14,21H,15-17H2,(H2,28,33)(H2,29,34)/t21-/m0/s1
InChIKeyOMLKKPONPYVGEN-NRFANRHFSA-N
XLogP2.59
TPSA135.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide
CID 67509944
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-[4-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 67509576
N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 141244816
N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-5-cyano-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 141244837
N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 141244825
N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 141244777
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-chloro-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 66719944
N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 141244841
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-[3-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 67508620
N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide
CID 67509550
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66719988
2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)-3-pyridinyl]methylamino]butanoic acid
CID 67260907

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (CID 140692257) is 6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is NC(=O)c1ccc([C@H](Cc2ccccc2)C2(C(N)=O)OCCO2)nc1-n1ccc(-c2ccccc2)n1.
What is the InChIKey of 6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is OMLKKPONPYVGEN-NRFANRHFSA-N. The full InChI is InChI=1S/C27H25N5O4/c28-24(33)20-11-12-23(30-25(20)32-14-13-22(31-32)19-9-5-2-6-10-19)21(17-18-7-3-1-4-8-18)27(26(29)34)35-15-16-36-27/h1-14,21H,15-17H2,(H2,28,33)(H2,29,34)/t21-/m0/s1.
What are the key properties of 6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 140692257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).