(4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C23H30N6O2 — CID 92579246

IUPAC(4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCNc1cc(C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C23H30N6O2/c1-15(2)29-14-18(11-21(29)30)23(31)28-9-6-16(7-10-28)19-12-20(24-3)27-22(26-19)17-5-4-8-25-13-17/h4-5,8,12-13,15-16,18H,6-7,9-11,14H2,1-3H3,(H,24,26,27)/t18-/m1/s1
InChIKeyNYVZYUGDGGIHHI-GOSISDBHSA-N
MW422.53 g/mol
LogP2.54
Rot. Bonds5

About (4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

(4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 92579246) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID92579246
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name(4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCNc1cc(C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C23H30N6O2/c1-15(2)29-14-18(11-21(29)30)23(31)28-9-6-16(7-10-28)19-12-20(24-3)27-22(26-19)17-5-4-8-25-13-17/h4-5,8,12-13,15-16,18H,6-7,9-11,14H2,1-3H3,(H,24,26,27)/t18-/m1/s1
InChIKeyNYVZYUGDGGIHHI-GOSISDBHSA-N
XLogP2.54
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-[4-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548954
2,2-dimethyl-1-[(3R)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 92551701
(5-chloro-1-benzofuran-2-yl)-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92610430
[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110239982
2-(3-methoxyphenyl)-1-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92610382
[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110239936
2-(2-fluorophenoxy)-1-[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110240019
4-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110243881
(5-chloro-1-benzofuran-2-yl)-[(3S)-3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92610390
6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 92604505
(4S)-4-[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 95801696
cyclopropyl-[(3S)-3-[6-(3-fluoroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 92568866

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 92579246) is (4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is CNc1cc(C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of (4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is NYVZYUGDGGIHHI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15(2)29-14-18(11-21(29)30)23(31)28-9-6-16(7-10-28)19-12-20(24-3)27-22(26-19)17-5-4-8-25-13-17/h4-5,8,12-13,15-16,18H,6-7,9-11,14H2,1-3H3,(H,24,26,27)/t18-/m1/s1.
What are the key properties of (4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
(4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 422.53 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 92579246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).