N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide

C17H21N3O — CID 63210004

IUPACN,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide
SMILESCCCNc1ccc(C(=O)N(C)c2ccccn2)cc1C
InChIInChI=1S/C17H21N3O/c1-4-10-18-15-9-8-14(12-13(15)2)17(21)20(3)16-7-5-6-11-19-16/h5-9,11-12,18H,4,10H2,1-3H3
InChIKeyYDUBRMQCGBMGNU-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.49
Rot. Bonds5

About N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide

N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide (PubChem CID 63210004) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide
PubChem CID63210004
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide
SMILESCCCNc1ccc(C(=O)N(C)c2ccccn2)cc1C
InChIInChI=1S/C17H21N3O/c1-4-10-18-15-9-8-14(12-13(15)2)17(21)20(3)16-7-5-6-11-19-16/h5-9,11-12,18H,4,10H2,1-3H3
InChIKeyYDUBRMQCGBMGNU-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide
CID 63963788
4-(ethylamino)-N,3-dimethyl-N-pyridin-4-ylbenzamide
CID 106937157
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
N-methyl-4-phenyl-N-pyridin-2-ylbenzamide
CID 51051172
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
CID 63283692
3,5-ditert-butyl-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide
CID 87590949
N-methyl-2-oxo-N-pyridin-2-yl-1H-pyridine-4-carboxamide
CID 113258009
N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide
CID 141014022
N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
CID 63210524
3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide
CID 63214108

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide?
The IUPAC name of N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide (CID 63210004) is N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide?
The canonical SMILES for N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide is CCCNc1ccc(C(=O)N(C)c2ccccn2)cc1C.
What is the InChIKey of N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide?
The InChIKey is YDUBRMQCGBMGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-10-18-15-9-8-14(12-13(15)2)17(21)20(3)16-7-5-6-11-19-16/h5-9,11-12,18H,4,10H2,1-3H3.
What are the key properties of N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide?
N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 63210004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).