N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide

C17H21N3O — CID 43460190

IUPACN-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(Cc2cccc(N)c2)C(C)C)cn1
InChIInChI=1S/C17H21N3O/c1-12(2)20(11-14-5-4-6-16(18)9-14)17(21)15-8-7-13(3)19-10-15/h4-10,12H,11,18H2,1-3H3
InChIKeyBWRXRJKVOKHLAL-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.02
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide

N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 43460190) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID43460190
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(Cc2cccc(N)c2)C(C)C)cn1
InChIInChI=1S/C17H21N3O/c1-12(2)20(11-14-5-4-6-16(18)9-14)17(21)15-8-7-13(3)19-10-15/h4-10,12H,11,18H2,1-3H3
InChIKeyBWRXRJKVOKHLAL-UHFFFAOYSA-N
XLogP3.02
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide
CID 104669124
N-[(3-aminophenyl)methyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 43458991
N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide
CID 43460181
N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
N-[(3-aminophenyl)methyl]-3-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 107516858
N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 43460178
N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-[(3-aminophenyl)methyl]-2,5-dibromo-N-propan-2-ylthiophene-3-carboxamide
CID 107959331
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide
CID 46989736
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide (CID 43460190) is N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(C(=O)N(Cc2cccc(N)c2)C(C)C)cn1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is BWRXRJKVOKHLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)20(11-14-5-4-6-16(18)9-14)17(21)15-8-7-13(3)19-10-15/h4-10,12H,11,18H2,1-3H3.
What are the key properties of N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 43460190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).