N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide

C22H23N5O — CID 167942565

IUPACN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C22H23N5O/c1-25(2)13-14-27(17-19-7-5-18(15-23)6-8-19)22(28)20-9-10-21(24-16-20)26-11-3-4-12-26/h3-12,16H,13-14,17H2,1-2H3
InChIKeyJOHJKUAKXFCECD-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.95
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide (PubChem CID 167942565) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide
PubChem CID167942565
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C22H23N5O/c1-25(2)13-14-27(17-19-7-5-18(15-23)6-8-19)22(28)20-9-10-21(24-16-20)26-11-3-4-12-26/h3-12,16H,13-14,17H2,1-2H3
InChIKeyJOHJKUAKXFCECD-UHFFFAOYSA-N
XLogP2.95
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(4-cyanophenyl)methyl-[2-(dimethylamino)ethyl]carbamoyl]pyridine-3-carboxylate
CID 60573978
N,N-diethyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 10060343
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
CID 55717328
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111970527
N-[(4-cyanophenyl)methyl]-4-(difluoromethoxy)-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 55717695
3,5-dichloro-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 55717517
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide
CID 60573923
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55873860
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55779819
methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
CID 134023429
N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 110886459
N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952867

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide (CID 167942565) is N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide is CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccc2)nc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide?
The InChIKey is JOHJKUAKXFCECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-25(2)13-14-27(17-19-7-5-18(15-23)6-8-19)22(28)20-9-10-21(24-16-20)26-11-3-4-12-26/h3-12,16H,13-14,17H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 167942565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).