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

C21H26N4O2 — CID 28851005

IUPAC[6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESC[C@@H](Nc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1)C1CC1
InChIInChI=1S/C21H26N4O2/c1-15(16-4-5-16)24-20-7-6-17(13-23-20)21(26)25-11-8-18(9-12-25)27-19-3-2-10-22-14-19/h2-3,6-7,10,13-16,18H,4-5,8-9,11-12H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyKQSHGGTXLRJEPA-OAHLLOKOSA-N
MW366.47 g/mol
LogP3.37
Rot. Bonds6

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

[6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 28851005) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is [6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID28851005
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name[6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESC[C@@H](Nc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1)C1CC1
InChIInChI=1S/C21H26N4O2/c1-15(16-4-5-16)24-20-7-6-17(13-23-20)21(26)25-11-8-18(9-12-25)27-19-3-2-10-22-14-19/h2-3,6-7,10,13-16,18H,4-5,8-9,11-12H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyKQSHGGTXLRJEPA-OAHLLOKOSA-N
XLogP3.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 95223445
[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-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
[6-[methyl(propyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56743978
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
1-[[1-[6-[[(1R)-1-cyclopropylethyl]amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 26410765
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 126460807

Frequently Asked Questions

What is the IUPAC name of [6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 28851005) is [6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is C[C@@H](Nc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1)C1CC1.
What is the InChIKey of [6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is KQSHGGTXLRJEPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(16-4-5-16)24-20-7-6-17(13-23-20)21(26)25-11-8-18(9-12-25)27-19-3-2-10-22-14-19/h2-3,6-7,10,13-16,18H,4-5,8-9,11-12H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of [6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 366.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 28851005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).