N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide

C16H13N3O2 — CID 122188018

IUPACN-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H13N3O2/c1-2-9-18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-10-17-11-13/h1,3-8,10-11H,9H2,(H,18,20)(H,19,21)
InChIKeyFTENTQCDEHIQIL-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.70
Rot. Bonds4

About N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide

N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 122188018) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID122188018
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H13N3O2/c1-2-9-18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-10-17-11-13/h1,3-8,10-11H,9H2,(H,18,20)(H,19,21)
InChIKeyFTENTQCDEHIQIL-UHFFFAOYSA-N
XLogP1.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide
CID 154193724
2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 75539634
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
ethyl 4-[4-(pyridine-3-carbonylamino)anilino]benzoate
CID 112989376

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 122188018) is N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide is C#CCNC(=O)c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is FTENTQCDEHIQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-2-9-18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-10-17-11-13/h1,3-8,10-11H,9H2,(H,18,20)(H,19,21).
What are the key properties of N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide?
N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122188018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).