N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide

C27H29N3O3 — CID 39881162

IUPACN-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)C2CC2)cc1
InChIInChI=1S/C27H29N3O3/c1-18-13-23(14-19(2)25(18)33-17-21-5-4-12-29-15-21)27(32)30(24-10-11-24)16-20-6-8-22(9-7-20)26(31)28-3/h4-9,12-15,24H,10-11,16-17H2,1-3H3,(H,28,31)
InChIKeyVLMIFAWUFNMLDZ-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.44
Rot. Bonds8

About N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide

N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 39881162) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID39881162
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)C2CC2)cc1
InChIInChI=1S/C27H29N3O3/c1-18-13-23(14-19(2)25(18)33-17-21-5-4-12-29-15-21)27(32)30(24-10-11-24)16-20-6-8-22(9-7-20)26(31)28-3/h4-9,12-15,24H,10-11,16-17H2,1-3H3,(H,28,31)
InChIKeyVLMIFAWUFNMLDZ-UHFFFAOYSA-N
XLogP4.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613865
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 33352211
3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
N-[2-(aminomethyl)cyclopentyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119604417
3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CID 120535842
N-[3-[4-(dimethylamino)phenyl]propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46453709
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119537303

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 39881162) is N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide is CNC(=O)c1ccc(CN(C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is VLMIFAWUFNMLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-18-13-23(14-19(2)25(18)33-17-21-5-4-12-29-15-21)27(32)30(24-10-11-24)16-20-6-8-22(9-7-20)26(31)28-3/h4-9,12-15,24H,10-11,16-17H2,1-3H3,(H,28,31).
What are the key properties of N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide?
N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 39881162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).