6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide

C20H17N5O — CID 164884825

IUPAC6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCc1ncccc1CNC(=O)c1ccc(-c2ccc(N)c(C#N)c2)nc1
InChIInChI=1S/C20H17N5O/c1-13-15(3-2-8-23-13)11-25-20(26)16-5-7-19(24-12-16)14-4-6-18(22)17(9-14)10-21/h2-9,12H,11,22H2,1H3,(H,25,26)
InChIKeyGQBIQLKNVBIBMZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.84
Rot. Bonds4

About 6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide

6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 164884825) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID164884825
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCc1ncccc1CNC(=O)c1ccc(-c2ccc(N)c(C#N)c2)nc1
InChIInChI=1S/C20H17N5O/c1-13-15(3-2-8-23-13)11-25-20(26)16-5-7-19(24-12-16)14-4-6-18(22)17(9-14)10-21/h2-9,12H,11,22H2,1H3,(H,25,26)
InChIKeyGQBIQLKNVBIBMZ-UHFFFAOYSA-N
XLogP2.84
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 164884821
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate
CID 164884835
N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
CID 138702079
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-ethyl-6-quinolin-6-ylpyridine-3-carboxamide
CID 50955108
3-(2-cyanophenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 45136905
N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149720
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620
3-methyl-N-[(2-methyl-3-pyridinyl)methyl]-1,2-oxazole-5-carboxamide
CID 166246895
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 164884825) is 6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide is Cc1ncccc1CNC(=O)c1ccc(-c2ccc(N)c(C#N)c2)nc1.
What is the InChIKey of 6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is GQBIQLKNVBIBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-15(3-2-8-23-13)11-25-20(26)16-5-7-19(24-12-16)14-4-6-18(22)17(9-14)10-21/h2-9,12H,11,22H2,1H3,(H,25,26).
What are the key properties of 6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 164884825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).