1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone

C19H24N6O — CID 95206747

IUPAC1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Nc2nc(-c3ccncc3)nc3c2CCNC3)C1
InChIInChI=1S/C19H24N6O/c1-13(26)25-10-2-3-15(12-25)22-19-16-6-9-21-11-17(16)23-18(24-19)14-4-7-20-8-5-14/h4-5,7-8,15,21H,2-3,6,9-12H2,1H3,(H,22,23,24)/t15-/m0/s1
InChIKeyASHNTMPKNIXQLB-HNNXBMFYSA-N
MW352.44 g/mol
LogP1.61
Rot. Bonds3

About 1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone

1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone (PubChem CID 95206747) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
PubChem CID95206747
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](Nc2nc(-c3ccncc3)nc3c2CCNC3)C1
InChIInChI=1S/C19H24N6O/c1-13(26)25-10-2-3-15(12-25)22-19-16-6-9-21-11-17(16)23-18(24-19)14-4-7-20-8-5-14/h4-5,7-8,15,21H,2-3,6,9-12H2,1H3,(H,22,23,24)/t15-/m0/s1
InChIKeyASHNTMPKNIXQLB-HNNXBMFYSA-N
XLogP1.61
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
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 1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone (CID 95206747) is 1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](Nc2nc(-c3ccncc3)nc3c2CCNC3)C1.
What is the InChIKey of 1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is ASHNTMPKNIXQLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13(26)25-10-2-3-15(12-25)22-19-16-6-9-21-11-17(16)23-18(24-19)14-4-7-20-8-5-14/h4-5,7-8,15,21H,2-3,6,9-12H2,1H3,(H,22,23,24)/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 352.44 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 95206747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).