2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide

C16H19N3O — CID 113023560

IUPAC2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(C)C)cn1
InChIInChI=1S/C16H19N3O/c1-11(2)18-13-8-9-15(17-10-13)19-16(20)14-7-5-4-6-12(14)3/h4-11,18H,1-3H3,(H,17,19,20)
InChIKeyBPOFISJNJVOCPY-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.46
Rot. Bonds4

About 2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide

2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide (PubChem CID 113023560) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
PubChem CID113023560
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(C)C)cn1
InChIInChI=1S/C16H19N3O/c1-11(2)18-13-8-9-15(17-10-13)19-16(20)14-7-5-4-6-12(14)3/h4-11,18H,1-3H3,(H,17,19,20)
InChIKeyBPOFISJNJVOCPY-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-(propan-2-ylamino)phenyl]benzamide
CID 112979818
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
2-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023425
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-methylbenzamide
CID 82022480
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023565
N-[5-(propan-2-ylamino)-2-pyridinyl]furan-2-carboxamide
CID 113023557
methyl 6-[(2-methylbenzoyl)amino]pyridine-3-carboxylate
CID 54003775
N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
CID 113019208
N-[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-2-methylbenzamide
CID 113033674
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide?
The IUPAC name of 2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide (CID 113023560) is 2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(NC(C)C)cn1.
What is the InChIKey of 2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide?
The InChIKey is BPOFISJNJVOCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)18-13-8-9-15(17-10-13)19-16(20)14-7-5-4-6-12(14)3/h4-11,18H,1-3H3,(H,17,19,20).
What are the key properties of 2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide?
2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide has a molecular weight of 269.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113023560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).