1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide

C17H23N5O2 — CID 56862674

IUPAC1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)C1
InChIInChI=1S/C17H23N5O2/c1-18-16(23)12-4-6-21(8-12)15-13-5-7-22(17(24)11-2-3-11)9-14(13)19-10-20-15/h10-12H,2-9H2,1H3,(H,18,23)
InChIKeyLWDHKHVMOJIONC-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.34
Rot. Bonds3

About 1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide

1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 56862674) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID56862674
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)C1
InChIInChI=1S/C17H23N5O2/c1-18-16(23)12-4-6-21(8-12)15-13-5-7-22(17(24)11-2-3-11)9-14(13)19-10-20-15/h10-12H,2-9H2,1H3,(H,18,23)
InChIKeyLWDHKHVMOJIONC-UHFFFAOYSA-N
XLogP0.34
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide (CID 56862674) is 1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(c2ncnc3c2CCN(C(=O)C2CC2)C3)C1.
What is the InChIKey of 1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is LWDHKHVMOJIONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-18-16(23)12-4-6-21(8-12)15-13-5-7-22(17(24)11-2-3-11)9-14(13)19-10-20-15/h10-12H,2-9H2,1H3,(H,18,23).
What are the key properties of 1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide?
1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56862674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).