N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide

C20H22N4O — CID 53004624

IUPACN-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide
SMILESCN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-23(17-8-3-2-4-9-17)14-7-13-22-20(25)19-11-6-15-24(19)18-10-5-12-21-16-18/h2-6,8-12,15-16H,7,13-14H2,1H3,(H,22,25)
InChIKeyPGNDQVJYLATQBK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.13
Rot. Bonds7

About N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide

N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide (PubChem CID 53004624) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide
PubChem CID53004624
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide
SMILESCN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-23(17-8-3-2-4-9-17)14-7-13-22-20(25)19-11-6-15-24(19)18-10-5-12-21-16-18/h2-6,8-12,15-16H,7,13-14H2,1H3,(H,22,25)
InChIKeyPGNDQVJYLATQBK-UHFFFAOYSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
N-[(2R)-2-phenylpropyl]-1-pyridin-3-ylpyrrole-2-carboxamide
CID 93055498
2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide
CID 77084137
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
N-[2-(furan-2-yl)ethyl]-1-pyridin-3-ylpyrrole-2-carboxamide
CID 53024393
1-pyridin-3-yl-N-(3-pyrrolidin-1-ylbutyl)pyrrole-2-carboxamide
CID 53054891
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52998688
4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 81225507
4-bromo-1-methyl-N-[3-(N-methylanilino)propyl]pyrrole-2-carboxamide
CID 43411208
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide (CID 53004624) is N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide is CN(CCCNC(=O)c1cccn1-c1cccnc1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide?
The InChIKey is PGNDQVJYLATQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(17-8-3-2-4-9-17)14-7-13-22-20(25)19-11-6-15-24(19)18-10-5-12-21-16-18/h2-6,8-12,15-16H,7,13-14H2,1H3,(H,22,25).
What are the key properties of N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide?
N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-1-pyridin-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 53004624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).