N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide

C21H22N6O2 — CID 110238798

IUPACN-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)ccn1
InChIInChI=1S/C21H22N6O2/c1-21(2)9-15-14(11-25-19(26-15)17-12-22-6-7-23-17)16(10-21)27-20(28)13-4-5-24-18(8-13)29-3/h4-8,11-12,16H,9-10H2,1-3H3,(H,27,28)
InChIKeyRTMNWIRFOKLIKV-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.78
Rot. Bonds4

About N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide

N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide (PubChem CID 110238798) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide
PubChem CID110238798
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)ccn1
InChIInChI=1S/C21H22N6O2/c1-21(2)9-15-14(11-25-19(26-15)17-12-22-6-7-23-17)16(10-21)27-20(28)13-4-5-24-18(8-13)29-3/h4-8,11-12,16H,9-10H2,1-3H3,(H,27,28)
InChIKeyRTMNWIRFOKLIKV-UHFFFAOYSA-N
XLogP2.78
TPSA102.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(methoxymethyl)benzamide
CID 110238786
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110245577
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-(ethoxymethyl)benzamide
CID 110238804
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)butanamide
CID 110238760
N-[(5S)-7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 92583090
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)oxolane-3-carboxamide
CID 110238779
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)acetamide
CID 110238924
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 110238785
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide
CID 110237676
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110237660
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-3,5-diethyl-1,2-oxazole-4-carboxamide
CID 110237738
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110237898

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide (CID 110238798) is N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)NC2CC(C)(C)Cc3nc(-c4cnccn4)ncc32)ccn1.
What is the InChIKey of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide?
The InChIKey is RTMNWIRFOKLIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-21(2)9-15-14(11-25-19(26-15)17-12-22-6-7-23-17)16(10-21)27-20(28)13-4-5-24-18(8-13)29-3/h4-8,11-12,16H,9-10H2,1-3H3,(H,27,28).
What are the key properties of N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide?
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 110238798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).