N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide

C16H16N4O — CID 62269325

IUPACN-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C16H16N4O/c1-2-18-15-14(4-3-9-19-15)16(21)20-11-13-7-5-12(10-17)6-8-13/h3-9H,2,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyNEIDGEJJIMWKAV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.32
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 62269325) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
PubChem CID62269325
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C16H16N4O/c1-2-18-15-14(4-3-9-19-15)16(21)20-11-13-7-5-12(10-17)6-8-13/h3-9H,2,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyNEIDGEJJIMWKAV-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 63247950
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
2-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 62168328
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 114957515
2-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 106377114
N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 138574473
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932
2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 62173151
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide (CID 62269325) is N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide is CCNc1ncccc1C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is NEIDGEJJIMWKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-18-15-14(4-3-9-19-15)16(21)20-11-13-7-5-12(10-17)6-8-13/h3-9H,2,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62269325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).