1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide

C19H20N4O — CID 77085057

IUPAC1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCCNc2cccnc2)ccc1-c1ccccc1
InChIInChI=1S/C19H20N4O/c1-23-17(15-6-3-2-4-7-15)9-10-18(23)19(24)22-13-12-21-16-8-5-11-20-14-16/h2-11,14,21H,12-13H2,1H3,(H,22,24)
InChIKeyZWKAPFGFFGAQMS-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.93
Rot. Bonds6

About 1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide

1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide (PubChem CID 77085057) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide
PubChem CID77085057
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide
SMILESCn1c(C(=O)NCCNc2cccnc2)ccc1-c1ccccc1
InChIInChI=1S/C19H20N4O/c1-23-17(15-6-3-2-4-7-15)9-10-18(23)19(24)22-13-12-21-16-8-5-11-20-14-16/h2-11,14,21H,12-13H2,1H3,(H,22,24)
InChIKeyZWKAPFGFFGAQMS-UHFFFAOYSA-N
XLogP2.93
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[2-(pyridin-3-ylamino)ethyl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887447
5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide
CID 164595730
5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 70777572
2,4-dimethyl-5-[2-(pyridin-3-ylamino)ethylcarbamoyl]-1H-pyrrole-3-carboxylic acid
CID 74245712
2-(1-methylpyrrolidin-2-yl)-N-[2-(pyridin-3-ylamino)ethyl]acetamide
CID 74233941
(3R)-3-(2-methylphenyl)-3-phenyl-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97282614
N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide
CID 56711500
5-methyl-N-[2-(pyridin-3-ylamino)ethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 67959049
1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide
CID 71929440
4-methyl-N-[2-(pyridin-3-ylamino)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 74250922
5-(pyridin-3-ylamino)pentanoic acid
CID 102421086
3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 154571393

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide (CID 77085057) is 1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide is Cn1c(C(=O)NCCNc2cccnc2)ccc1-c1ccccc1.
What is the InChIKey of 1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide?
The InChIKey is ZWKAPFGFFGAQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-23-17(15-6-3-2-4-7-15)9-10-18(23)19(24)22-13-12-21-16-8-5-11-20-14-16/h2-11,14,21H,12-13H2,1H3,(H,22,24).
What are the key properties of 1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide?
1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 77085057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).