2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C19H31N5O — CID 56885357

IUPAC2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)N(C(C)C)C(C)C)C2
InChIInChI=1S/C19H31N5O/c1-13(2)24(14(3)4)19(25)23-11-8-16-17(12-23)20-15(5)21-18(16)22-9-6-7-10-22/h13-14H,6-12H2,1-5H3
InChIKeyCYZKOVUVHZRJEV-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.98
Rot. Bonds3

About 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 56885357) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID56885357
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)N(C(C)C)C(C)C)C2
InChIInChI=1S/C19H31N5O/c1-13(2)24(14(3)4)19(25)23-11-8-16-17(12-23)20-15(5)21-18(16)22-9-6-7-10-22/h13-14H,6-12H2,1-5H3
InChIKeyCYZKOVUVHZRJEV-UHFFFAOYSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
4-N-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 137381348
4-N-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 145979503
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N,N-diethylpyrrolidin-3-amine
CID 56861697
7-acetyl-N~2~,N~2~,N~4~-trimethyl-N~4~-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56867377
2-[[7-Acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl](methyl)amino]ethanol
CID 56868073
7-(Cyclopropylcarbonyl)-4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56868241
N,N-dimethyl-7-(piperidin-1-ylacetyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870004
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(diethylamino)propan-1-one
CID 56870569
N-{1-[7-acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 56871379
7-acetyl-N~2~,N~2~,N~4~-trimethyl-N~4~-[3-(tetrahydrofuran-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56872517
7-[(isopropylthio)acetyl]-N,N,N',N'-tetramethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56878155

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 56885357) is 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)N(C(C)C)C(C)C)C2.
What is the InChIKey of 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is CYZKOVUVHZRJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-13(2)24(14(3)4)19(25)23-11-8-16-17(12-23)20-15(5)21-18(16)22-9-6-7-10-22/h13-14H,6-12H2,1-5H3.
What are the key properties of 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-di(propan-2-yl)-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 56885357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).