(4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one

C19H24N6O — CID 95217517

IUPAC(4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCCN1C[C@H](Nc2nc(-c3cccnc3)nc3c2CCNC3)CC1=O
InChIInChI=1S/C19H24N6O/c1-2-8-25-12-14(9-17(25)26)22-19-15-5-7-21-11-16(15)23-18(24-19)13-4-3-6-20-10-13/h3-4,6,10,14,21H,2,5,7-9,11-12H2,1H3,(H,22,23,24)/t14-/m1/s1
InChIKeySXEUEDAJINHPOS-CQSZACIVSA-N
MW352.44 g/mol
LogP1.61
Rot. Bonds5

About (4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one

(4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 95217517) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID95217517
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCCN1C[C@H](Nc2nc(-c3cccnc3)nc3c2CCNC3)CC1=O
InChIInChI=1S/C19H24N6O/c1-2-8-25-12-14(9-17(25)26)22-19-15-5-7-21-11-16(15)23-18(24-19)13-4-3-6-20-10-13/h3-4,6,10,14,21H,2,5,7-9,11-12H2,1H3,(H,22,23,24)/t14-/m1/s1
InChIKeySXEUEDAJINHPOS-CQSZACIVSA-N
XLogP1.61
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one (CID 95217517) is (4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one is CCCN1C[C@H](Nc2nc(-c3cccnc3)nc3c2CCNC3)CC1=O.
What is the InChIKey of (4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is SXEUEDAJINHPOS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N6O/c1-2-8-25-12-14(9-17(25)26)22-19-15-5-7-21-11-16(15)23-18(24-19)13-4-3-6-20-10-13/h3-4,6,10,14,21H,2,5,7-9,11-12H2,1H3,(H,22,23,24)/t14-/m1/s1.
What are the key properties of (4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one?
(4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-propyl-4-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95217517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).