N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C18H22ClN5O — CID 90645260

IUPACN-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC(C)Nc1ncc2c(n1)CN(C(=O)NCc1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H22ClN5O/c1-12(2)22-17-20-10-14-7-8-24(11-16(14)23-17)18(25)21-9-13-3-5-15(19)6-4-13/h3-6,10,12H,7-9,11H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyNMUQYLRAMRYBOP-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.22
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 90645260) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID90645260
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC(C)Nc1ncc2c(n1)CN(C(=O)NCc1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H22ClN5O/c1-12(2)22-17-20-10-14-7-8-24(11-16(14)23-17)18(25)21-9-13-3-5-15(19)6-4-13/h3-6,10,12H,7-9,11H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyNMUQYLRAMRYBOP-UHFFFAOYSA-N
XLogP3.22
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 90645260) is N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CC(C)Nc1ncc2c(n1)CN(C(=O)NCc1ccc(Cl)cc1)CC2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is NMUQYLRAMRYBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-12(2)22-17-20-10-14-7-8-24(11-16(14)23-17)18(25)21-9-13-3-5-15(19)6-4-13/h3-6,10,12H,7-9,11H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 90645260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).