2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide

C16H18N4O2 — CID 52714170

IUPAC2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccncc1
InChIInChI=1S/C16H18N4O2/c1-11(2)18-16(22)20-14-6-4-3-5-13(14)15(21)19-12-7-9-17-10-8-12/h3-11H,1-2H3,(H,17,19,21)(H2,18,20,22)
InChIKeyQZQRTACMWNTTFU-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.86
Rot. Bonds4

About 2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide

2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide (PubChem CID 52714170) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide
PubChem CID52714170
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccncc1
InChIInChI=1S/C16H18N4O2/c1-11(2)18-16(22)20-14-6-4-3-5-13(14)15(21)19-12-7-9-17-10-8-12/h3-11H,1-2H3,(H,17,19,21)(H2,18,20,22)
InChIKeyQZQRTACMWNTTFU-UHFFFAOYSA-N
XLogP2.86
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
N-(3-acetamido-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55972242
2-benzamido-N-pyridin-4-ylbenzamide
CID 730926
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
N-(1-benzothiophen-5-yl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 55929497
N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 47089076
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
N-propan-2-yl-2-[(2-propan-2-yloxybenzoyl)amino]benzamide
CID 17045597

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide (CID 52714170) is 2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide is CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide?
The InChIKey is QZQRTACMWNTTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(2)18-16(22)20-14-6-4-3-5-13(14)15(21)19-12-7-9-17-10-8-12/h3-11H,1-2H3,(H,17,19,21)(H2,18,20,22).
What are the key properties of 2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide?
2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide has a molecular weight of 298.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylcarbamoylamino)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 52714170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).