N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide

C19H18N4O3 — CID 136533274

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
SMILESCC1(C)CC(NC(=O)c2cc3c(=O)[nH]cnc3cn2)c2ccccc2O1
InChIInChI=1S/C19H18N4O3/c1-19(2)8-14(11-5-3-4-6-16(11)26-19)23-18(25)13-7-12-15(9-20-13)21-10-22-17(12)24/h3-7,9-10,14H,8H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyCMYGHVZVYNJUJE-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.35
Rot. Bonds2

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide (PubChem CID 136533274) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
PubChem CID136533274
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
SMILESCC1(C)CC(NC(=O)c2cc3c(=O)[nH]cnc3cn2)c2ccccc2O1
InChIInChI=1S/C19H18N4O3/c1-19(2)8-14(11-5-3-4-6-16(11)26-19)23-18(25)13-7-12-15(9-20-13)21-10-22-17(12)24/h3-7,9-10,14H,8H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyCMYGHVZVYNJUJE-UHFFFAOYSA-N
XLogP2.35
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
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N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 119331752
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
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CID 133164751
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222
1-[2-(dimethylamino)ethyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrazole-3-carboxamide
CID 138004822
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(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 99588781
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-(1-ethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 92628499
2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide
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(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide (CID 136533274) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide is CC1(C)CC(NC(=O)c2cc3c(=O)[nH]cnc3cn2)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is CMYGHVZVYNJUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-19(2)8-14(11-5-3-4-6-16(11)26-19)23-18(25)13-7-12-15(9-20-13)21-10-22-17(12)24/h3-7,9-10,14H,8H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 136533274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).