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

C24H33N7O — CID 46072763

IUPACN-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)NCc2ccccc2)CC3)CC1
InChIInChI=1S/C24H33N7O/c1-28-13-15-30(16-14-28)23-26-21-9-12-31(24(32)25-17-19-7-3-2-4-8-19)18-20(21)22(27-23)29-10-5-6-11-29/h2-4,7-8H,5-6,9-18H2,1H3,(H,25,32)
InChIKeySETXOROBIVNWJS-UHFFFAOYSA-N
MW435.58 g/mol
LogP2.10
Rot. Bonds4

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

N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 46072763) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID46072763
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC NameN-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)NCc2ccccc2)CC3)CC1
InChIInChI=1S/C24H33N7O/c1-28-13-15-30(16-14-28)23-26-21-9-12-31(24(32)25-17-19-7-3-2-4-8-19)18-20(21)22(27-23)29-10-5-6-11-29/h2-4,7-8H,5-6,9-18H2,1H3,(H,25,32)
InChIKeySETXOROBIVNWJS-UHFFFAOYSA-N
XLogP2.10
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 46072763) is N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CN1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)NCc2ccccc2)CC3)CC1.
What is the InChIKey of N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is SETXOROBIVNWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-28-13-15-30(16-14-28)23-26-21-9-12-31(24(32)25-17-19-7-3-2-4-8-19)18-20(21)22(27-23)29-10-5-6-11-29/h2-4,7-8H,5-6,9-18H2,1H3,(H,25,32).
What are the key properties of N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 435.58 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46072763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).