3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide

C23H30ClN3O4 — CID 38540995

IUPAC3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccnc2N2CCOCC2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C23H30ClN3O4/c1-16(2)6-10-31-21-19(24)13-18(14-20(21)29-3)23(28)26-15-17-5-4-7-25-22(17)27-8-11-30-12-9-27/h4-5,7,13-14,16H,6,8-12,15H2,1-3H3,(H,26,28)
InChIKeyQUWMOEIQDKQRLX-UHFFFAOYSA-N
MW447.96 g/mol
LogP3.94
Rot. Bonds9

About 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide

3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide (PubChem CID 38540995) has the molecular formula C23H30ClN3O4 and a molecular weight of 447.96 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
PubChem CID38540995
Molecular FormulaC23H30ClN3O4
Molecular Weight447.96 g/mol
Exact Mass447.19
IUPAC Name3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccnc2N2CCOCC2)cc(Cl)c1OCCC(C)C
InChIInChI=1S/C23H30ClN3O4/c1-16(2)6-10-31-21-19(24)13-18(14-20(21)29-3)23(28)26-15-17-5-4-7-25-22(17)27-8-11-30-12-9-27/h4-5,7,13-14,16H,6,8-12,15H2,1-3H3,(H,26,28)
InChIKeyQUWMOEIQDKQRLX-UHFFFAOYSA-N
XLogP3.94
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.96
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 119847226
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 31288260
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051144
3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60592788
3-chloro-N-[2-(3-hydroxyphenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 52792141
3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 18268789
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60597223
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
1-[4-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777676
3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249590

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide (CID 38540995) is 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide is COc1cc(C(=O)NCc2cccnc2N2CCOCC2)cc(Cl)c1OCCC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is QUWMOEIQDKQRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4/c1-16(2)6-10-31-21-19(24)13-18(14-20(21)29-3)23(28)26-15-17-5-4-7-25-22(17)27-8-11-30-12-9-27/h4-5,7,13-14,16H,6,8-12,15H2,1-3H3,(H,26,28).
What are the key properties of 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide?
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 447.96 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 38540995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).