4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide

C22H22N6O2 — CID 171682595

IUPAC4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide
SMILESCn1cnc2ccc(NC(=O)c3cc(-c4cnn(C(C)(C)C)c4)ccn3)cc2c1=O
InChIInChI=1S/C22H22N6O2/c1-22(2,3)28-12-15(11-25-28)14-7-8-23-19(9-14)20(29)26-16-5-6-18-17(10-16)21(30)27(4)13-24-18/h5-13H,1-4H3,(H,26,29)
InChIKeyIITJXZNPZLHXTC-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.20
Rot. Bonds3

About 4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide

4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide (PubChem CID 171682595) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide
PubChem CID171682595
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide
SMILESCn1cnc2ccc(NC(=O)c3cc(-c4cnn(C(C)(C)C)c4)ccn3)cc2c1=O
InChIInChI=1S/C22H22N6O2/c1-22(2,3)28-12-15(11-25-28)14-7-8-23-19(9-14)20(29)26-16-5-6-18-17(10-16)21(30)27(4)13-24-18/h5-13H,1-4H3,(H,26,29)
InChIKeyIITJXZNPZLHXTC-UHFFFAOYSA-N
XLogP3.20
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide
CID 171682647
6-tert-butyl-3-methylquinazolin-4-one
CID 59391740
4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
CID 174524895
N-(3-methyl-4-oxoquinazolin-6-yl)-2-thiophen-3-ylpropanamide
CID 155967432
3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide
CID 75489933
[3-[[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174524883
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide
CID 175986864
3-methylpyrido[4,3-d]pyrimidin-4-one
CID 59514464
N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 46229583
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide
CID 51123617
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide (CID 171682595) is 4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide is Cn1cnc2ccc(NC(=O)c3cc(-c4cnn(C(C)(C)C)c4)ccn3)cc2c1=O.
What is the InChIKey of 4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide?
The InChIKey is IITJXZNPZLHXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-22(2,3)28-12-15(11-25-28)14-7-8-23-19(9-14)20(29)26-16-5-6-18-17(10-16)21(30)27(4)13-24-18/h5-13H,1-4H3,(H,26,29).
What are the key properties of 4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide?
4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpyrazol-4-yl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 171682595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).