N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide

C23H23ClN6O — CID 143198886

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCCN2C=NCC2)nc1
InChIInChI=1S/C23H23ClN6O/c24-20-7-6-18(14-19(20)21-4-1-2-9-26-21)29-23(31)17-5-8-22(28-15-17)27-10-3-12-30-13-11-25-16-30/h1-2,4-9,14-16H,3,10-13H2,(H,27,28)(H,29,31)
InChIKeyIUJNKNSLZFKXJI-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.20
Rot. Bonds8

About N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide (PubChem CID 143198886) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide
PubChem CID143198886
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCCN2C=NCC2)nc1
InChIInChI=1S/C23H23ClN6O/c24-20-7-6-18(14-19(20)21-4-1-2-9-26-21)29-23(31)17-5-8-22(28-15-17)27-10-3-12-30-13-11-25-16-30/h1-2,4-9,14-16H,3,10-13H2,(H,27,28)(H,29,31)
InChIKeyIUJNKNSLZFKXJI-UHFFFAOYSA-N
XLogP4.20
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 58614711
N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide
CID 67475642
6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;6-(benzylamino)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 157182944
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 66877640
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-4-iodo-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 170125191
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide
CID 157054989
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 52946876
N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
CID 143831215
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3-imidazol-1-ylpropylamino)sulfanylbenzamide
CID 87413906

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide (CID 143198886) is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(NCCCN2C=NCC2)nc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide?
The InChIKey is IUJNKNSLZFKXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c24-20-7-6-18(14-19(20)21-4-1-2-9-26-21)29-23(31)17-5-8-22(28-15-17)27-10-3-12-30-13-11-25-16-30/h1-2,4-9,14-16H,3,10-13H2,(H,27,28)(H,29,31).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 143198886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).