2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide

C18H16ClFN4O — CID 23130377

IUPAC2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide
SMILESNc1nc(Cl)ccc1C(=O)NC(Cc1cccc(F)c1)c1cc[nH]c1
InChIInChI=1S/C18H16ClFN4O/c19-16-5-4-14(17(21)24-16)18(25)23-15(12-6-7-22-10-12)9-11-2-1-3-13(20)8-11/h1-8,10,15,22H,9H2,(H2,21,24)(H,23,25)
InChIKeyBVLNGVHTNYJFQL-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.50
Rot. Bonds5

About 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide

2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 23130377) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID23130377
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide
SMILESNc1nc(Cl)ccc1C(=O)NC(Cc1cccc(F)c1)c1cc[nH]c1
InChIInChI=1S/C18H16ClFN4O/c19-16-5-4-14(17(21)24-16)18(25)23-15(12-6-7-22-10-12)9-11-2-1-3-13(20)8-11/h1-8,10,15,22H,9H2,(H2,21,24)(H,23,25)
InChIKeyBVLNGVHTNYJFQL-UHFFFAOYSA-N
XLogP3.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxamide
CID 155966728
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 7237810
2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
CID 63110061
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-2,5-dichloro-1-(2-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 58282795
(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid
CID 46884011
N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide
CID 49011781
[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286398
2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 140933508
(2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid
CID 156884176
6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673906
methyl (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11437949
5-chloro-3-[2-(3-fluorophenyl)-1-hydrazinylethyl]pyridin-2-amine
CID 105204807

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide (CID 23130377) is 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide is Nc1nc(Cl)ccc1C(=O)NC(Cc1cccc(F)c1)c1cc[nH]c1.
What is the InChIKey of 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is BVLNGVHTNYJFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c19-16-5-4-14(17(21)24-16)18(25)23-15(12-6-7-22-10-12)9-11-2-1-3-13(20)8-11/h1-8,10,15,22H,9H2,(H2,21,24)(H,23,25).
What are the key properties of 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide?
2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 358.80 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(3-fluorophenyl)-1-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 23130377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).