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

C19H27N5O2 — CID 70712572

IUPACcyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C19H27N5O2/c1-20-19-21-15-8-11-24(17(25)13-6-2-3-7-13)12-14(15)16(22-19)18(26)23-9-4-5-10-23/h13H,2-12H2,1H3,(H,20,21,22)
InChIKeyXMZRLBFBSXHZNY-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.83
Rot. Bonds3

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

cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 70712572) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID70712572
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Namecyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C19H27N5O2/c1-20-19-21-15-8-11-24(17(25)13-6-2-3-7-13)12-14(15)16(22-19)18(26)23-9-4-5-10-23/h13H,2-12H2,1H3,(H,20,21,22)
InChIKeyXMZRLBFBSXHZNY-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 70712572) is cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)C1CCCC1)CC2.
What is the InChIKey of cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is XMZRLBFBSXHZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-20-19-21-15-8-11-24(17(25)13-6-2-3-7-13)12-14(15)16(22-19)18(26)23-9-4-5-10-23/h13H,2-12H2,1H3,(H,20,21,22).
What are the key properties of cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 70712572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).