N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide

C16H16N4O — CID 104641096

IUPACN-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(CC#N)cc2)nc1
InChIInChI=1S/C16H16N4O/c1-2-18-14-7-8-15(19-11-14)16(21)20-13-5-3-12(4-6-13)9-10-17/h3-8,11,18H,2,9H2,1H3,(H,20,21)
InChIKeyGXJDPVLTSOYEOY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.83
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide

N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 104641096) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide
PubChem CID104641096
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(CC#N)cc2)nc1
InChIInChI=1S/C16H16N4O/c1-2-18-14-7-8-15(19-11-14)16(21)20-13-5-3-12(4-6-13)9-10-17/h3-8,11,18H,2,9H2,1H3,(H,20,21)
InChIKeyGXJDPVLTSOYEOY-UHFFFAOYSA-N
XLogP2.83
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 113230498
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
N-[4-(cyanomethyl)phenyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616644
5-[4-(cyanomethyl)anilino]pyridine-2-carboxylic acid
CID 113435915
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60787828
N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641780
N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 62302226
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641827
N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62832358
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639845
6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide
CID 62302246

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide (CID 104641096) is N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)Nc2ccc(CC#N)cc2)nc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is GXJDPVLTSOYEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-18-14-7-8-15(19-11-14)16(21)20-13-5-3-12(4-6-13)9-10-17/h3-8,11,18H,2,9H2,1H3,(H,20,21).
What are the key properties of N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide?
N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).