2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide

C16H19N3O — CID 63107619

IUPAC2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCc1ccncc1
InChIInChI=1S/C16H19N3O/c1-12(2)19-15-6-4-3-5-14(15)16(20)18-11-13-7-9-17-10-8-13/h3-10,12,19H,11H2,1-2H3,(H,18,20)
InChIKeyGOUHOULYFPYMEU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds5

About 2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide

2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 63107619) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID63107619
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCc1ccncc1
InChIInChI=1S/C16H19N3O/c1-12(2)19-15-6-4-3-5-14(15)16(20)18-11-13-7-9-17-10-8-13/h3-10,12,19H,11H2,1-2H3,(H,18,20)
InChIKeyGOUHOULYFPYMEU-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
CID 63107843
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63293605
N-benzyl-2-(pyridin-4-ylamino)benzamide
CID 24821329
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24653521
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide
CID 19898974

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide (CID 63107619) is 2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide is CC(C)Nc1ccccc1C(=O)NCc1ccncc1.
What is the InChIKey of 2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is GOUHOULYFPYMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(2)19-15-6-4-3-5-14(15)16(20)18-11-13-7-9-17-10-8-13/h3-10,12,19H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide?
2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 63107619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).