N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide

C21H22ClN5O — CID 58614711

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1
InChIInChI=1S/C21H22ClN5O/c1-27(2)12-11-24-20-9-6-15(14-25-20)21(28)26-16-7-8-18(22)17(13-16)19-5-3-4-10-23-19/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyGITAAFBAOWHKFR-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.02
Rot. Bonds7

About N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide (PubChem CID 58614711) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
PubChem CID58614711
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
SMILESCN(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1
InChIInChI=1S/C21H22ClN5O/c1-27(2)12-11-24-20-9-6-15(14-25-20)21(28)26-16-7-8-18(22)17(13-16)19-5-3-4-10-23-19/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyGITAAFBAOWHKFR-UHFFFAOYSA-N
XLogP4.02
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)-4-[4-(dimethylamino)butyl]benzamide
CID 58227039
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
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
N-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153838
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-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 70325323
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
CID 141316203
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide (CID 58614711) is N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide is CN(C)CCNc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
The InChIKey is GITAAFBAOWHKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-27(2)12-11-24-20-9-6-15(14-25-20)21(28)26-16-7-8-18(22)17(13-16)19-5-3-4-10-23-19/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 58614711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).