(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one

C19H26N6O — CID 128997201

IUPAC(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one
SMILESCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(N3CCCC3)nc2)cn1
InChIInChI=1S/C19H26N6O/c1-24-13-15(12-22-24)19-16(5-7-18(26)23-19)20-10-14-4-6-17(21-11-14)25-8-2-3-9-25/h4,6,11-13,16,19-20H,2-3,5,7-10H2,1H3,(H,23,26)/t16-,19+/m1/s1
InChIKeyNJTCZLOTXVSEDO-APWZRJJASA-N
MW354.46 g/mol
LogP1.52
Rot. Bonds5

About (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one

(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one (PubChem CID 128997201) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one
PubChem CID128997201
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one
SMILESCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(N3CCCC3)nc2)cn1
InChIInChI=1S/C19H26N6O/c1-24-13-15(12-22-24)19-16(5-7-18(26)23-19)20-10-14-4-6-17(21-11-14)25-8-2-3-9-25/h4,6,11-13,16,19-20H,2-3,5,7-10H2,1H3,(H,23,26)/t16-,19+/m1/s1
InChIKeyNJTCZLOTXVSEDO-APWZRJJASA-N
XLogP1.52
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 128991014
trans-(1R,2R)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cycloheptane-1-carboxamide
CID 99854710
cis-(1R,2S)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cycloheptane-1-carboxamide
CID 99854708
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
CID 136581166
4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635605
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
CID 97224310
N-[[6-(4,4-diethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63160054
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433455
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
1-(2-oxoazepan-3-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 51084223
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one?
The IUPAC name of (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one (CID 128997201) is (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one?
The canonical SMILES for (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one is Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(N3CCCC3)nc2)cn1.
What is the InChIKey of (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one?
The InChIKey is NJTCZLOTXVSEDO-APWZRJJASA-N. The full InChI is InChI=1S/C19H26N6O/c1-24-13-15(12-22-24)19-16(5-7-18(26)23-19)20-10-14-4-6-17(21-11-14)25-8-2-3-9-25/h4,6,11-13,16,19-20H,2-3,5,7-10H2,1H3,(H,23,26)/t16-,19+/m1/s1.
What are the key properties of (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one?
(5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one has a molecular weight of 354.46 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(1-methylpyrazol-4-yl)-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]piperidin-2-one is sourced from PubChem (CID 128997201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).