3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide

C20H26ClN3O3 — CID 75468298

IUPAC3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)Nc2cc(CN(C)C)ccn2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C20H26ClN3O3/c1-13(2)12-27-19-16(21)9-15(10-17(19)26-5)20(25)23-18-8-14(6-7-22-18)11-24(3)4/h6-10,13H,11-12H2,1-5H3,(H,22,23,25)
InChIKeyZGBRAWVSZFFNAW-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.09
Rot. Bonds8

About 3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide

3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 75468298) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID75468298
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)Nc2cc(CN(C)C)ccn2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C20H26ClN3O3/c1-13(2)12-27-19-16(21)9-15(10-17(19)26-5)20(25)23-18-8-14(6-7-22-18)11-24(3)4/h6-10,13H,11-12H2,1-5H3,(H,22,23,25)
InChIKeyZGBRAWVSZFFNAW-UHFFFAOYSA-N
XLogP4.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 60522037
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
CID 134058516
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792706
3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 55334280
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 41276636

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide (CID 75468298) is 3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)Nc2cc(CN(C)C)ccn2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is ZGBRAWVSZFFNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-13(2)12-27-19-16(21)9-15(10-17(19)26-5)20(25)23-18-8-14(6-7-22-18)11-24(3)4/h6-10,13H,11-12H2,1-5H3,(H,22,23,25).
What are the key properties of 3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 391.90 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 75468298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).