[6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C16H25N3O2 — CID 126817379

IUPAC[6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N(C)[C@@H](C)CO)nc2)CC1
InChIInChI=1S/C16H25N3O2/c1-12-6-8-19(9-7-12)16(21)14-4-5-15(17-10-14)18(3)13(2)11-20/h4-5,10,12-13,20H,6-9,11H2,1-3H3/t13-/m0/s1
InChIKeyTYVZNJQTIMWWSP-ZDUSSCGKSA-N
MW291.40 g/mol
LogP1.77
Rot. Bonds4

About [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 126817379) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID126817379
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N(C)[C@@H](C)CO)nc2)CC1
InChIInChI=1S/C16H25N3O2/c1-12-6-8-19(9-7-12)16(21)14-4-5-15(17-10-14)18(3)13(2)11-20/h4-5,10,12-13,20H,6-9,11H2,1-3H3/t13-/m0/s1
InChIKeyTYVZNJQTIMWWSP-ZDUSSCGKSA-N
XLogP1.77
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[6-(dimethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627239
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
2-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]acetamide
CID 48677877
(4-methylpiperidin-1-yl)-(6-pyridin-2-yl-3-pyridinyl)methanone
CID 110681807
[6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133346042
(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid
CID 122050434
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 111515872
(4-methylpiperidin-1-yl)-[6-[(2-propylcyclopropyl)amino]-3-pyridinyl]methanone
CID 133327530
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56754313
[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 48658257

Frequently Asked Questions

What is the IUPAC name of [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 126817379) is [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(N(C)[C@@H](C)CO)nc2)CC1.
What is the InChIKey of [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is TYVZNJQTIMWWSP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-6-8-19(9-7-12)16(21)14-4-5-15(17-10-14)18(3)13(2)11-20/h4-5,10,12-13,20H,6-9,11H2,1-3H3/t13-/m0/s1.
What are the key properties of [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 126817379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).