1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile

C20H25N7O — CID 56914587

IUPAC1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cc(C#N)n(C)c1)CC2
InChIInChI=1S/C20H25N7O/c1-22-20-23-17-5-8-26(12-14-9-15(10-21)25(2)11-14)13-16(17)18(24-20)19(28)27-6-3-4-7-27/h9,11H,3-8,12-13H2,1-2H3,(H,22,23,24)
InChIKeyBFCVZOZXCWEQFD-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.52
Rot. Bonds4

About 1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile

1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile (PubChem CID 56914587) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile
PubChem CID56914587
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cc(C#N)n(C)c1)CC2
InChIInChI=1S/C20H25N7O/c1-22-20-23-17-5-8-26(12-14-9-15(10-21)25(2)11-14)13-16(17)18(24-20)19(28)27-6-3-4-7-27/h9,11H,3-8,12-13H2,1-2H3,(H,22,23,24)
InChIKeyBFCVZOZXCWEQFD-UHFFFAOYSA-N
XLogP1.52
TPSA90.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile (CID 56914587) is 1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cc(C#N)n(C)c1)CC2.
What is the InChIKey of 1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile?
The InChIKey is BFCVZOZXCWEQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-22-20-23-17-5-8-26(12-14-9-15(10-21)25(2)11-14)13-16(17)18(24-20)19(28)27-6-3-4-7-27/h9,11H,3-8,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of 1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile?
1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile has a molecular weight of 379.47 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 56914587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).