N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C16H19N3O2 — CID 115736977

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(CCN)cc2)c(=O)[nH]1
InChIInChI=1S/C16H19N3O2/c1-11-2-7-14(16(21)19-11)15(20)18-10-13-5-3-12(4-6-13)8-9-17/h2-7H,8-10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyPXNITOUKKGUYRC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.11
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 115736977) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID115736977
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(CCN)cc2)c(=O)[nH]1
InChIInChI=1S/C16H19N3O2/c1-11-2-7-14(16(21)19-11)15(20)18-10-13-5-3-12(4-6-13)8-9-17/h2-7H,8-10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyPXNITOUKKGUYRC-UHFFFAOYSA-N
XLogP1.11
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 78895539
4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247079
N-[[4-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830096
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 62502316
ethyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 115589394
6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86852224
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 115584292
N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
CID 62500805
2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 113451591
N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113351778

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 115736977) is N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(CCN)cc2)c(=O)[nH]1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PXNITOUKKGUYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-2-7-14(16(21)19-11)15(20)18-10-13-5-3-12(4-6-13)8-9-17/h2-7H,8-10,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115736977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).