(3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

C18H22N6O — CID 95714707

IUPAC(3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(c2nc(-c3ccccn3)nc3c2CCNC3)C1
InChIInChI=1S/C18H22N6O/c19-16(25)12-4-3-9-24(11-12)18-13-6-8-20-10-15(13)22-17(23-18)14-5-1-2-7-21-14/h1-2,5,7,12,20H,3-4,6,8-11H2,(H2,19,25)/t12-/m1/s1
InChIKeyYOTZMPBNQJXGNX-GFCCVEGCSA-N
MW338.42 g/mol
LogP0.89
Rot. Bonds3

About (3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

(3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 95714707) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID95714707
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(c2nc(-c3ccccn3)nc3c2CCNC3)C1
InChIInChI=1S/C18H22N6O/c19-16(25)12-4-3-9-24(11-12)18-13-6-8-20-10-15(13)22-17(23-18)14-5-1-2-7-21-14/h1-2,5,7,12,20H,3-4,6,8-11H2,(H2,19,25)/t12-/m1/s1
InChIKeyYOTZMPBNQJXGNX-GFCCVEGCSA-N
XLogP0.89
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 56870477
(4aS,8aS)-2-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 56898421
cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498856
(3R)-N-ethyl-1-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95222188
(3S)-1-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 95207884
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
[1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 56909374
[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95724044
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
1,4-diazepan-1-yl-[(3S)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 95219225
N-ethyl-N-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 86806537
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-3-carboxamide
CID 172899821

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 95714707) is (3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(c2nc(-c3ccccn3)nc3c2CCNC3)C1.
What is the InChIKey of (3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is YOTZMPBNQJXGNX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N6O/c19-16(25)12-4-3-9-24(11-12)18-13-6-8-20-10-15(13)22-17(23-18)14-5-1-2-7-21-14/h1-2,5,7,12,20H,3-4,6,8-11H2,(H2,19,25)/t12-/m1/s1.
What are the key properties of (3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95714707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).