N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide

C16H17N3O2 — CID 17197451

IUPACN-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C16H17N3O2/c1-11(2)18-16(21)13-4-3-5-14(10-13)19-15(20)12-6-8-17-9-7-12/h3-11H,1-2H3,(H,18,21)(H,19,20)
InChIKeyCSNPPPQDMVGGLT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.47
Rot. Bonds4

About N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide

N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide (PubChem CID 17197451) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
PubChem CID17197451
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C16H17N3O2/c1-11(2)18-16(21)13-4-3-5-14(10-13)19-15(20)12-6-8-17-9-7-12/h3-11H,1-2H3,(H,18,21)(H,19,20)
InChIKeyCSNPPPQDMVGGLT-UHFFFAOYSA-N
XLogP2.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
3-N-(3-acetamidophenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101470
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide (CID 17197451) is N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide is CC(C)NC(=O)c1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is CSNPPPQDMVGGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(2)18-16(21)13-4-3-5-14(10-13)19-15(20)12-6-8-17-9-7-12/h3-11H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide?
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 17197451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).