(2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide

C23H26N4O2 — CID 24745493

IUPAC(2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide
SMILESCc1nc2ccccc2c(=O)n1[C@H](CC1CCCCC1)C(=O)Nc1ccccn1
InChIInChI=1S/C23H26N4O2/c1-16-25-19-12-6-5-11-18(19)23(29)27(16)20(15-17-9-3-2-4-10-17)22(28)26-21-13-7-8-14-24-21/h5-8,11-14,17,20H,2-4,9-10,15H2,1H3,(H,24,26,28)/t20-/m1/s1
InChIKeyCBEYCBZSHRQYEL-HXUWFJFHSA-N
MW390.49 g/mol
LogP4.25
Rot. Bonds5

About (2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide

(2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide (PubChem CID 24745493) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide
PubChem CID24745493
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide
SMILESCc1nc2ccccc2c(=O)n1[C@H](CC1CCCCC1)C(=O)Nc1ccccn1
InChIInChI=1S/C23H26N4O2/c1-16-25-19-12-6-5-11-18(19)23(29)27(16)20(15-17-9-3-2-4-10-17)22(28)26-21-13-7-8-14-24-21/h5-8,11-14,17,20H,2-4,9-10,15H2,1H3,(H,24,26,28)/t20-/m1/s1
InChIKeyCBEYCBZSHRQYEL-HXUWFJFHSA-N
XLogP4.25
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 91254966
(2S)-3-cyclohexyl-2-[4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 67483704
(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 10224339
3-cyclopentyl-2-(6-methyl-2-oxo-3H-indol-1-yl)-N-pyridin-2-ylpropanamide
CID 67774103
(2S)-3-cyclohexyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 24745490
(2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide
CID 67484164
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide
CID 23858759
2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide
CID 67774452
3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-quinolin-2-ylpropanamide
CID 57461552
(2S)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
CID 44628875
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
CID 40681888
N-(2-cyclopentylpyrazol-3-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55571044

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of (2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide (CID 24745493) is (2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide is Cc1nc2ccccc2c(=O)n1[C@H](CC1CCCCC1)C(=O)Nc1ccccn1.
What is the InChIKey of (2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is CBEYCBZSHRQYEL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-25-19-12-6-5-11-18(19)23(29)27(16)20(15-17-9-3-2-4-10-17)22(28)26-21-13-7-8-14-24-21/h5-8,11-14,17,20H,2-4,9-10,15H2,1H3,(H,24,26,28)/t20-/m1/s1.
What are the key properties of (2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide?
(2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 390.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 24745493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).