4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide

C21H25N5O2 — CID 58505465

IUPAC4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cc(-c2ccc(C#N)cn2)cn1C)C1CCCCC1
InChIInChI=1S/C21H25N5O2/c1-23-21(28)19(15-6-4-3-5-7-15)25-20(27)18-10-16(13-26(18)2)17-9-8-14(11-22)12-24-17/h8-10,12-13,15,19H,3-7H2,1-2H3,(H,23,28)(H,25,27)/t19-/m0/s1
InChIKeyYFFMYYAHIUEWHV-IBGZPJMESA-N
MW379.46 g/mol
LogP2.38
Rot. Bonds5

About 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide

4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 58505465) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
PubChem CID58505465
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1cc(-c2ccc(C#N)cn2)cn1C)C1CCCCC1
InChIInChI=1S/C21H25N5O2/c1-23-21(28)19(15-6-4-3-5-7-15)25-20(27)18-10-16(13-26(18)2)17-9-8-14(11-22)12-24-17/h8-10,12-13,15,19H,3-7H2,1-2H3,(H,23,28)(H,25,27)/t19-/m0/s1
InChIKeyYFFMYYAHIUEWHV-IBGZPJMESA-N
XLogP2.38
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide with MolForge

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Related Compounds

4-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide
CID 46207023
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807256
2-(4-cyanophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 58505513
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide
CID 58492138
(2R)-2-acetamido-N-(4-cyanophenyl)-2-cyclopentylacetamide
CID 25469679
N-[cyano(cyclohexyl)methyl]-3-methylimidazole-4-carboxamide
CID 103510913
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(2-methoxyethylamino)-2-oxoethyl]furan-2-carboxamide
CID 75148133
N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159731
4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 111928569
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 70226655
N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide
CID 168846669

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide (CID 58505465) is 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1cc(-c2ccc(C#N)cn2)cn1C)C1CCCCC1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is YFFMYYAHIUEWHV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N5O2/c1-23-21(28)19(15-6-4-3-5-7-15)25-20(27)18-10-16(13-26(18)2)17-9-8-14(11-22)12-24-17/h8-10,12-13,15,19H,3-7H2,1-2H3,(H,23,28)(H,25,27)/t19-/m0/s1.
What are the key properties of 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide?
4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 58505465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).