N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide

C20H19ClN4O — CID 170126154

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1
InChIInChI=1S/C20H19ClN4O/c1-2-10-23-19-9-6-14(13-24-19)20(26)25-15-7-8-17(21)16(12-15)18-5-3-4-11-22-18/h3-9,11-13H,2,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyIWPTVPDLOHLFPU-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.87
Rot. Bonds6

About N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 170126154) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID170126154
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1
InChIInChI=1S/C20H19ClN4O/c1-2-10-23-19-9-6-14(13-24-19)20(26)25-15-7-8-17(21)16(12-15)18-5-3-4-11-22-18/h3-9,11-13H,2,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyIWPTVPDLOHLFPU-UHFFFAOYSA-N
XLogP4.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 58614711
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[3-(4,5-dihydroimidazol-1-yl)propylamino]pyridine-3-carboxamide
CID 143198886
6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 66877640
N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107616648
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
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
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
CID 141316203
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide (CID 170126154) is N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is IWPTVPDLOHLFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-2-10-23-19-9-6-14(13-24-19)20(26)25-15-7-8-17(21)16(12-15)18-5-3-4-11-22-18/h3-9,11-13H,2,10H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 170126154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).