(2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide

C15H16ClN5O — CID 95303117

IUPAC(2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2cncnc2C1
InChIInChI=1S/C15H16ClN5O/c1-10(15(22)20-14-3-2-12(16)7-18-14)21-5-4-11-6-17-9-19-13(11)8-21/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,18,20,22)/t10-/m1/s1
InChIKeyDULJXBOPVIGFFA-SNVBAGLBSA-N
MW317.78 g/mol
LogP1.91
Rot. Bonds3

About (2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide

(2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide (PubChem CID 95303117) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide
PubChem CID95303117
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name(2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2cncnc2C1
InChIInChI=1S/C15H16ClN5O/c1-10(15(22)20-14-3-2-12(16)7-18-14)21-5-4-11-6-17-9-19-13(11)8-21/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,18,20,22)/t10-/m1/s1
InChIKeyDULJXBOPVIGFFA-SNVBAGLBSA-N
XLogP1.91
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide (CID 95303117) is (2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide is C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2cncnc2C1.
What is the InChIKey of (2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide?
The InChIKey is DULJXBOPVIGFFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-10(15(22)20-14-3-2-12(16)7-18-14)21-5-4-11-6-17-9-19-13(11)8-21/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,18,20,22)/t10-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide?
(2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide has a molecular weight of 317.78 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide is sourced from PubChem (CID 95303117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).