3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one

C18H22N4O2 — CID 124592587

IUPAC3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one
SMILESC[C@@H]1CCCN(C(=O)c2ccc(-c3ccncc3)[nH]c2=O)[C@H]1CN
InChIInChI=1S/C18H22N4O2/c1-12-3-2-10-22(16(12)11-19)18(24)14-4-5-15(21-17(14)23)13-6-8-20-9-7-13/h4-9,12,16H,2-3,10-11,19H2,1H3,(H,21,23)/t12-,16+/m1/s1
InChIKeyCDMOVZPQBDSRKN-WBMJQRKESA-N
MW326.40 g/mol
LogP1.64
Rot. Bonds3

About 3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one

3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 124592587) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one
PubChem CID124592587
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one
SMILESC[C@@H]1CCCN(C(=O)c2ccc(-c3ccncc3)[nH]c2=O)[C@H]1CN
InChIInChI=1S/C18H22N4O2/c1-12-3-2-10-22(16(12)11-19)18(24)14-4-5-15(21-17(14)23)13-6-8-20-9-7-13/h4-9,12,16H,2-3,10-11,19H2,1H3,(H,21,23)/t12-,16+/m1/s1
InChIKeyCDMOVZPQBDSRKN-WBMJQRKESA-N
XLogP1.64
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one (CID 124592587) is 3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one is C[C@@H]1CCCN(C(=O)c2ccc(-c3ccncc3)[nH]c2=O)[C@H]1CN.
What is the InChIKey of 3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is CDMOVZPQBDSRKN-WBMJQRKESA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-3-2-10-22(16(12)11-19)18(24)14-4-5-15(21-17(14)23)13-6-8-20-9-7-13/h4-9,12,16H,2-3,10-11,19H2,1H3,(H,21,23)/t12-,16+/m1/s1.
What are the key properties of 3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one?
3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 124592587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).