[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C19H24N4O3 — CID 95223445

IUPAC[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESC[C@H](CO)Nc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1
InChIInChI=1S/C19H24N4O3/c1-14(13-24)22-18-5-4-15(11-21-18)19(25)23-9-6-16(7-10-23)26-17-3-2-8-20-12-17/h2-5,8,11-12,14,16,24H,6-7,9-10,13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyKPVHSSWEOIANIR-CQSZACIVSA-N
MW356.43 g/mol
LogP1.95
Rot. Bonds6

About [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 95223445) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID95223445
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESC[C@H](CO)Nc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1
InChIInChI=1S/C19H24N4O3/c1-14(13-24)22-18-5-4-15(11-21-18)19(25)23-9-6-16(7-10-23)26-17-3-2-8-20-12-17/h2-5,8,11-12,14,16,24H,6-7,9-10,13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyKPVHSSWEOIANIR-CQSZACIVSA-N
XLogP1.95
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone with MolForge

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Related Compounds

[6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 28851005
[6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 26405317
[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 28766355
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95227967
[6-[methyl(propyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56743978
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56877304
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 122566404
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353

Frequently Asked Questions

What is the IUPAC name of [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 95223445) is [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is C[C@H](CO)Nc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1.
What is the InChIKey of [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is KPVHSSWEOIANIR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14(13-24)22-18-5-4-15(11-21-18)19(25)23-9-6-16(7-10-23)26-17-3-2-8-20-12-17/h2-5,8,11-12,14,16,24H,6-7,9-10,13H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 95223445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).