[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

C21H26ClN5O2 — CID 133273342

IUPAC[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NC2CCN(Cc3ccccn3)CC2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C21H26ClN5O2/c22-19-13-16(21(28)27-9-11-29-12-10-27)14-24-20(19)25-17-4-7-26(8-5-17)15-18-3-1-2-6-23-18/h1-3,6,13-14,17H,4-5,7-12,15H2,(H,24,25)
InChIKeyZXYJWFDBEXDEQW-UHFFFAOYSA-N
MW415.93 g/mol
LogP2.68
Rot. Bonds5

About [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133273342) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133273342
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NC2CCN(Cc3ccccn3)CC2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C21H26ClN5O2/c22-19-13-16(21(28)27-9-11-29-12-10-27)14-24-20(19)25-17-4-7-26(8-5-17)15-18-3-1-2-6-23-18/h1-3,6,13-14,17H,4-5,7-12,15H2,(H,24,25)
InChIKeyZXYJWFDBEXDEQW-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133277623
[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133305166
3-[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;trihydrochloride
CID 173124826
[5-chloro-6-[(4-chloro-2,3-dihydro-1H-inden-1-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273440
[5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 127741686
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[5-chloro-6-[[3-(trifluoromethyl)cyclohexyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133333851
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270949
morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone
CID 135111291
[5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133435229

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133273342) is [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NC2CCN(Cc3ccccn3)CC2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is ZXYJWFDBEXDEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c22-19-13-16(21(28)27-9-11-29-12-10-27)14-24-20(19)25-17-4-7-26(8-5-17)15-18-3-1-2-6-23-18/h1-3,6,13-14,17H,4-5,7-12,15H2,(H,24,25).
What are the key properties of [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 415.93 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133273342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).