2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide

C26H25N5O2 — CID 55838019

IUPAC2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C
InChIInChI=1S/C26H25N5O2/c1-17-12-13-21(29-26(33)28-20-9-5-4-6-10-20)16-23(17)30-25(32)22-15-18(2)31(19(22)3)24-11-7-8-14-27-24/h4-16H,1-3H3,(H,30,32)(H2,28,29,33)
InChIKeyMOESIYYUARDEKH-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.69
Rot. Bonds5

About 2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide

2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 55838019) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID55838019
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C
InChIInChI=1S/C26H25N5O2/c1-17-12-13-21(29-26(33)28-20-9-5-4-6-10-20)16-23(17)30-25(32)22-15-18(2)31(19(22)3)24-11-7-8-14-27-24/h4-16H,1-3H3,(H,30,32)(H2,28,29,33)
InChIKeyMOESIYYUARDEKH-UHFFFAOYSA-N
XLogP5.69
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78903158
2,5-dimethyl-1-pyridin-2-yl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrole-3-carboxamide
CID 43066858
N-[3-(2-methoxyethoxy)phenyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55959337
methyl N-[4-[[(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]methyl]phenyl]carbamate
CID 55846828
(2S)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119360329
2,5-dimethyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55990533
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55964061
N,2,5-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55635322
2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
(2R)-2-[(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364267
N-[(2S)-1-aminopropan-2-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120509004
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide (CID 55838019) is 2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C.
What is the InChIKey of 2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is MOESIYYUARDEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-12-13-21(29-26(33)28-20-9-5-4-6-10-20)16-23(17)30-25(32)22-15-18(2)31(19(22)3)24-11-7-8-14-27-24/h4-16H,1-3H3,(H,30,32)(H2,28,29,33).
What are the key properties of 2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide?
2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 55838019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).