2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide

C24H21N5O2 — CID 155672586

IUPAC2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2ccccc2)c2nc(NCc3ccccc3)ncc2c1=O
InChIInChI=1S/C24H21N5O2/c30-21-19-14-26-24(25-13-16-7-3-1-4-8-16)28-22(19)29(18-9-5-2-6-10-18)15-20(21)23(31)27-17-11-12-17/h1-10,14-15,17H,11-13H2,(H,27,31)(H,25,26,28)
InChIKeyGJQHZMHMCDIXBU-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.29
Rot. Bonds6

About 2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide

2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 155672586) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID155672586
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2ccccc2)c2nc(NCc3ccccc3)ncc2c1=O
InChIInChI=1S/C24H21N5O2/c30-21-19-14-26-24(25-13-16-7-3-1-4-8-16)28-22(19)29(18-9-5-2-6-10-18)15-20(21)23(31)27-17-11-12-17/h1-10,14-15,17H,11-13H2,(H,27,31)(H,25,26,28)
InChIKeyGJQHZMHMCDIXBU-UHFFFAOYSA-N
XLogP3.29
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzylamino)-5-oxo-8-phenyl-N-prop-2-ynylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 155672568
5-oxo-8-phenyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 68584083
ethyl 2-(2-methoxyethylamino)-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 68583605
N-cyclopropyl-1-(3-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 58870012
4-[6-(benzylamino)-9-phenylpurin-2-yl]-N-cyclopropylbenzamide
CID 117086485
trans-(1R,2R)-2-[3-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 69158736
cis-(1R,2S)-2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 10412173
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
2-[4-[3-[3-(cyclopropylcarbamoyl)-4-oxo-1,8-naphthyridin-1-yl]phenyl]-2-fluorophenyl]acetic acid
CID 70317544
N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 10136016
N-cyclopropyl-1-[3-(1-hydroxypyridin-1-ium-3-yl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91318440
N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10178284

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 155672586) is 2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide is O=C(NC1CC1)c1cn(-c2ccccc2)c2nc(NCc3ccccc3)ncc2c1=O.
What is the InChIKey of 2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GJQHZMHMCDIXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-21-19-14-26-24(25-13-16-7-3-1-4-8-16)28-22(19)29(18-9-5-2-6-10-18)15-20(21)23(31)27-17-11-12-17/h1-10,14-15,17H,11-13H2,(H,27,31)(H,25,26,28).
What are the key properties of 2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide?
2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-cyclopropyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 155672586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).