4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide

C18H17N5O3 — CID 135629201

IUPAC4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
SMILESO=C(NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1cccnc1
InChIInChI=1S/C18H17N5O3/c24-16(12-5-3-8-19-11-12)20-9-4-10-21-18(26)15-22-14-7-2-1-6-13(14)17(25)23-15/h1-3,5-8,11H,4,9-10H2,(H,20,24)(H,21,26)(H,22,23,25)
InChIKeyMEDKNFSMZWKCEV-UHFFFAOYSA-N
MW351.37 g/mol
LogP0.87
Rot. Bonds6

About 4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide

4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide (PubChem CID 135629201) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
PubChem CID135629201
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
SMILESO=C(NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1cccnc1
InChIInChI=1S/C18H17N5O3/c24-16(12-5-3-8-19-11-12)20-9-4-10-21-18(26)15-22-14-7-2-1-6-13(14)17(25)23-15/h1-3,5-8,11H,4,9-10H2,(H,20,24)(H,21,26)(H,22,23,25)
InChIKeyMEDKNFSMZWKCEV-UHFFFAOYSA-N
XLogP0.87
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-bromobenzoyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658213
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629285
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
CID 135658727
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[3-[(3-chlorobenzoyl)-methylamino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629295
N-[3-[(4-methoxybenzoyl)-methylamino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629300
6-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-1H-pyridazine-3-carboxamide
CID 108926634
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide?
The IUPAC name of 4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide (CID 135629201) is 4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide is O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1cccnc1.
What is the InChIKey of 4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide?
The InChIKey is MEDKNFSMZWKCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-16(12-5-3-8-19-11-12)20-9-4-10-21-18(26)15-22-14-7-2-1-6-13(14)17(25)23-15/h1-3,5-8,11H,4,9-10H2,(H,20,24)(H,21,26)(H,22,23,25).
What are the key properties of 4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide?
4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[3-(pyridine-3-carbonylamino)propyl]-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135629201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).