N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide

C16H19N3O — CID 82743343

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
SMILESCCc1cccnc1CNC(=O)c1ccc(NC)cc1
InChIInChI=1S/C16H19N3O/c1-3-12-5-4-10-18-15(12)11-19-16(20)13-6-8-14(17-2)9-7-13/h4-10,17H,3,11H2,1-2H3,(H,19,20)
InChIKeyPHVBNQRYTUIAMA-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.62
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide

N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide (PubChem CID 82743343) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
PubChem CID82743343
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide
SMILESCCc1cccnc1CNC(=O)c1ccc(NC)cc1
InChIInChI=1S/C16H19N3O/c1-3-12-5-4-10-18-15(12)11-19-16(20)13-6-8-14(17-2)9-7-13/h4-10,17H,3,11H2,1-2H3,(H,19,20)
InChIKeyPHVBNQRYTUIAMA-UHFFFAOYSA-N
XLogP2.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 82744064
N-[(3-ethyl-2-pyridinyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 82739232
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106854223
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82734231
N-[(3-ethyl-2-pyridinyl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070941
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-fluoro-4-methylbenzamide
CID 82733555
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-2-(methylamino)benzamide
CID 82733988
N-[(3-ethyl-2-pyridinyl)methyl]-2H-triazole-4-carboxamide
CID 82748926
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide
CID 82733532
2,6-dichloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 106994204

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide (CID 82743343) is N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide is CCc1cccnc1CNC(=O)c1ccc(NC)cc1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide?
The InChIKey is PHVBNQRYTUIAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-12-5-4-10-18-15(12)11-19-16(20)13-6-8-14(17-2)9-7-13/h4-10,17H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide?
N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-4-(methylamino)benzamide is sourced from PubChem (CID 82743343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).