N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide

C24H21N5O3 — CID 167947829

IUPACN-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C24H21N5O3/c30-22(10-9-21-28-20-4-2-1-3-19(20)24(32)29-21)26-15-16-5-7-18(8-6-16)27-23(31)17-11-13-25-14-12-17/h1-8,11-14H,9-10,15H2,(H,26,30)(H,27,31)(H,28,29,32)
InChIKeyRQJOIOPCWFNGOG-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.82
Rot. Bonds7

About N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide

N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 167947829) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID167947829
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C24H21N5O3/c30-22(10-9-21-28-20-4-2-1-3-19(20)24(32)29-21)26-15-16-5-7-18(8-6-16)27-23(31)17-11-13-25-14-12-17/h1-8,11-14H,9-10,15H2,(H,26,30)(H,27,31)(H,28,29,32)
InChIKeyRQJOIOPCWFNGOG-UHFFFAOYSA-N
XLogP2.82
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135767696
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-(4-bromo-3-methylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767361
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893495
ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 135808249
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711256
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637123
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide (CID 167947829) is N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide is O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is RQJOIOPCWFNGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c30-22(10-9-21-28-20-4-2-1-3-19(20)24(32)29-21)26-15-16-5-7-18(8-6-16)27-23(31)17-11-13-25-14-12-17/h1-8,11-14H,9-10,15H2,(H,26,30)(H,27,31)(H,28,29,32).
What are the key properties of N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide?
N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 167947829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).