2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol

C22H29N3O2 — CID 177153114

IUPAC2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol
SMILESC/C=C/c1ccc(C)c(-c2cc(NC(C)CO)nc(N3CCOCC3)c2)c1
InChIInChI=1S/C22H29N3O2/c1-4-5-18-7-6-16(2)20(12-18)19-13-21(23-17(3)15-26)24-22(14-19)25-8-10-27-11-9-25/h4-7,12-14,17,26H,8-11,15H2,1-3H3,(H,23,24)/b5-4+
InChIKeyQVIBRAYUGIENAT-SNAWJCMRSA-N
MW367.49 g/mol
LogP3.72
Rot. Bonds6

About 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol

2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol (PubChem CID 177153114) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol
PubChem CID177153114
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol
SMILESC/C=C/c1ccc(C)c(-c2cc(NC(C)CO)nc(N3CCOCC3)c2)c1
InChIInChI=1S/C22H29N3O2/c1-4-5-18-7-6-16(2)20(12-18)19-13-21(23-17(3)15-26)24-22(14-19)25-8-10-27-11-9-25/h4-7,12-14,17,26H,8-11,15H2,1-3H3,(H,23,24)/b5-4+
InChIKeyQVIBRAYUGIENAT-SNAWJCMRSA-N
XLogP3.72
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol with MolForge

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Related Compounds

formamide;2-[[4-[2-methyl-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol
CID 177153092
2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide
CID 177153017
N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468178
(Z,2E)-2-ethylidene-5,5-difluoro-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(methylideneamino)hex-3-enamide
CID 138714222
4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
CID 176803233
N-[3-[2-[[(2S)-2,3-dihydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468113
N-[3-[2-(2-hydroxypropylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 166758628
N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803148
N-[2-[(2,3-difluoro-4-methylphenyl)methylsulfanyl]-6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]morpholine-4-sulfonamide
CID 70662716
N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 162764866
N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468128
N-[3-[2-(tert-butylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468212

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol (CID 177153114) is 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol is C/C=C/c1ccc(C)c(-c2cc(NC(C)CO)nc(N3CCOCC3)c2)c1.
What is the InChIKey of 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol?
The InChIKey is QVIBRAYUGIENAT-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-5-18-7-6-16(2)20(12-18)19-13-21(23-17(3)15-26)24-22(14-19)25-8-10-27-11-9-25/h4-7,12-14,17,26H,8-11,15H2,1-3H3,(H,23,24)/b5-4+.
What are the key properties of 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol?
2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol has a molecular weight of 367.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-methyl-5-[(E)-prop-1-enyl]phenyl]-6-morpholin-4-yl-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 177153114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).