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

C18H23N5O — CID 90645258

IUPACN-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC(C)Nc1ncc2c(n1)CN(C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C18H23N5O/c1-13(2)21-17-19-11-15-8-9-23(12-16(15)22-17)18(24)20-10-14-6-4-3-5-7-14/h3-7,11,13H,8-10,12H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyPYEZQCXEGLBZNJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.56
Rot. Bonds4

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

N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 90645258) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID90645258
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC(C)Nc1ncc2c(n1)CN(C(=O)NCc1ccccc1)CC2
InChIInChI=1S/C18H23N5O/c1-13(2)21-17-19-11-15-8-9-23(12-16(15)22-17)18(24)20-10-14-6-4-3-5-7-14/h3-7,11,13H,8-10,12H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyPYEZQCXEGLBZNJ-UHFFFAOYSA-N
XLogP2.56
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 90645258) is N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CC(C)Nc1ncc2c(n1)CN(C(=O)NCc1ccccc1)CC2.
What is the InChIKey of N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is PYEZQCXEGLBZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13(2)21-17-19-11-15-8-9-23(12-16(15)22-17)18(24)20-10-14-6-4-3-5-7-14/h3-7,11,13H,8-10,12H2,1-2H3,(H,20,24)(H,19,21,22).
What are the key properties of N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 90645258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).