6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine

C29H31ClN4O2 — CID 170696513

IUPAC6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine
SMILESCNCc1ccc(-c2nccc(-c3cccc(-c4ccc(N(C)C)c(OC)n4)c3C)c2Cl)cc1OC
InChIInChI=1S/C29H31ClN4O2/c1-18-21(8-7-9-22(18)24-12-13-25(34(3)4)29(33-24)36-6)23-14-15-32-28(27(23)30)19-10-11-20(17-31-2)26(16-19)35-5/h7-16,31H,17H2,1-6H3
InChIKeyWZXLIPIMWUDDQS-UHFFFAOYSA-N
MW503.05 g/mol
LogP6.24
Rot. Bonds8

About 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine

6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine (PubChem CID 170696513) has the molecular formula C29H31ClN4O2 and a molecular weight of 503.05 g/mol. Its IUPAC name is 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine
PubChem CID170696513
Molecular FormulaC29H31ClN4O2
Molecular Weight503.05 g/mol
Exact Mass502.21
IUPAC Name6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine
SMILESCNCc1ccc(-c2nccc(-c3cccc(-c4ccc(N(C)C)c(OC)n4)c3C)c2Cl)cc1OC
InChIInChI=1S/C29H31ClN4O2/c1-18-21(8-7-9-22(18)24-12-13-25(34(3)4)29(33-24)36-6)23-14-15-32-28(27(23)30)19-10-11-20(17-31-2)26(16-19)35-5/h7-16,31H,17H2,1-6H3
InChIKeyWZXLIPIMWUDDQS-UHFFFAOYSA-N
XLogP6.24
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.05
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine with MolForge

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Related Compounds

(3R)-4-[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-(methylaminomethyl)-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methylamino]-3-hydroxybutanoic acid
CID 170696126
1-[[4-[4-[2-chloro-3-[5-[(2-hydroxypropylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]-3-methyl-2-pyridinyl]-2-methoxyphenyl]methylamino]propan-2-ol
CID 174186760
N-[[4-[4-[2-chloro-3-[6-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]-3-methyl-2-pyridinyl]-2-methoxyphenyl]methyl]oxan-4-amine
CID 170696194
2-[3-chloro-2-[3-methoxy-4-[(oxan-4-ylamino)methyl]phenyl]-4-pyridinyl]-6-[6-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]benzonitrile
CID 170697186
1-[(3S)-3-[[4-[4-[3-[5-[[[(3R)-1-acetylpyrrolidin-3-yl]amino]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-3-chloro-2-pyridinyl]-2-methoxyphenyl]methylamino]pyrrolidin-1-yl]ethanone
CID 170696313
1-[(3R)-3-[[4-[4-[3-[5-[[[(3S)-1-acetylpyrrolidin-3-yl]amino]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-3-chloro-2-pyridinyl]-2-methoxyphenyl]methylamino]pyrrolidin-1-yl]ethanone
CID 170697506
2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane
CID 170696468
4-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[(5-oxopyrrolidin-3-yl)methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methylamino]methyl]pyrrolidin-2-one
CID 174186668
(4R)-4-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[(3R)-5-oxopyrrolidin-3-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methylamino]methyl]pyrrolidin-2-one
CID 170697656
1-[4-[[4-[4-[3-[5-[[(1-acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-3-chloro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 170697735
N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide
CID 175513036
4-[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[(1-methyl-2-oxopiperidin-4-yl)amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methylamino]-1-methylpiperidin-2-one
CID 170696875

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine?
The IUPAC name of 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine (CID 170696513) is 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine is CNCc1ccc(-c2nccc(-c3cccc(-c4ccc(N(C)C)c(OC)n4)c3C)c2Cl)cc1OC.
What is the InChIKey of 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine?
The InChIKey is WZXLIPIMWUDDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O2/c1-18-21(8-7-9-22(18)24-12-13-25(34(3)4)29(33-24)36-6)23-14-15-32-28(27(23)30)19-10-11-20(17-31-2)26(16-19)35-5/h7-16,31H,17H2,1-6H3.
What are the key properties of 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine?
6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine has a molecular weight of 503.05 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]-2-methylphenyl]-2-methoxy-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 170696513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).