6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide

C26H30N4O3 — CID 123521465

IUPAC6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide
SMILESCCc1ccc2ncn([C@@H](CC3CCCCC3)C(=O)Cc3ccc(C(N)=O)cn3)c(=O)c2c1
InChIInChI=1S/C26H30N4O3/c1-2-17-8-11-22-21(12-17)26(33)30(16-29-22)23(13-18-6-4-3-5-7-18)24(31)14-20-10-9-19(15-28-20)25(27)32/h8-12,15-16,18,23H,2-7,13-14H2,1H3,(H2,27,32)/t23-/m0/s1
InChIKeySXBGWZQZVIPBHJ-QHCPKHFHSA-N
MW446.55 g/mol
LogP3.78
Rot. Bonds8

About 6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide

6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide (PubChem CID 123521465) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide
PubChem CID123521465
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide
SMILESCCc1ccc2ncn([C@@H](CC3CCCCC3)C(=O)Cc3ccc(C(N)=O)cn3)c(=O)c2c1
InChIInChI=1S/C26H30N4O3/c1-2-17-8-11-22-21(12-17)26(33)30(16-29-22)23(13-18-6-4-3-5-7-18)24(31)14-20-10-9-19(15-28-20)25(27)32/h8-12,15-16,18,23H,2-7,13-14H2,1H3,(H2,27,32)/t23-/m0/s1
InChIKeySXBGWZQZVIPBHJ-QHCPKHFHSA-N
XLogP3.78
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide (CID 123521465) is 6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide is CCc1ccc2ncn([C@@H](CC3CCCCC3)C(=O)Cc3ccc(C(N)=O)cn3)c(=O)c2c1.
What is the InChIKey of 6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide?
The InChIKey is SXBGWZQZVIPBHJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-2-17-8-11-22-21(12-17)26(33)30(16-29-22)23(13-18-6-4-3-5-7-18)24(31)14-20-10-9-19(15-28-20)25(27)32/h8-12,15-16,18,23H,2-7,13-14H2,1H3,(H2,27,32)/t23-/m0/s1.
What are the key properties of 6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide?
6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-4-cyclohexyl-3-(6-ethyl-4-oxoquinazolin-3-yl)-2-oxobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 123521465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).