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

C16H17N3O2 — CID 26157561

IUPACN-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H17N3O2/c1-11(2)18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-9-17-10-13/h3-11H,1-2H3,(H,18,20)(H,19,21)
InChIKeyCESBEARJXBRVNH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.47
Rot. Bonds4

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

N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 26157561) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID26157561
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H17N3O2/c1-11(2)18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-9-17-10-13/h3-11H,1-2H3,(H,18,20)(H,19,21)
InChIKeyCESBEARJXBRVNH-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 26157561) is N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide is CC(C)NC(=O)c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is CESBEARJXBRVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(2)18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-9-17-10-13/h3-11H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-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-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 26157561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).