N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide

C28H32N4O3 — CID 11167366

IUPACN-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2ccc(CNC(C)C)cn2)cc1
InChIInChI=1S/C28H32N4O3/c1-18(2)29-15-20-5-9-24(30-16-20)17-35-25-12-7-21(8-13-25)27(33)32-26-14-22(6-4-19(26)3)28(34)31-23-10-11-23/h4-9,12-14,16,18,23,29H,10-11,15,17H2,1-3H3,(H,31,34)(H,32,33)
InChIKeyBEBZRQBZMMYQFX-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.61
Rot. Bonds10

About N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide

N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide (PubChem CID 11167366) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide
PubChem CID11167366
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2ccc(CNC(C)C)cn2)cc1
InChIInChI=1S/C28H32N4O3/c1-18(2)29-15-20-5-9-24(30-16-20)17-35-25-12-7-21(8-13-25)27(33)32-26-14-22(6-4-19(26)3)28(34)31-23-10-11-23/h4-9,12-14,16,18,23,29H,10-11,15,17H2,1-3H3,(H,31,34)(H,32,33)
InChIKeyBEBZRQBZMMYQFX-UHFFFAOYSA-N
XLogP4.61
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide with MolForge

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Related Compounds

N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328
N-cyclopropyl-4-methyl-3-[[3-methyl-4-(1,2,5-thiadiazol-3-ylmethoxy)benzoyl]amino]benzamide
CID 11258737
N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
methyl 5-[[4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]-2-methylphenoxy]methyl]furan-2-carboxylate
CID 11385690
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
N-cyclopropyl-3-[[4-[[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]methoxy]benzoyl]amino]-4-methyl-N-phenylbenzamide
CID 67207223
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(propylamino)pyridine-4-carboxamide
CID 59761490
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide (CID 11167366) is N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2ccc(CNC(C)C)cn2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide?
The InChIKey is BEBZRQBZMMYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-18(2)29-15-20-5-9-24(30-16-20)17-35-25-12-7-21(8-13-25)27(33)32-26-14-22(6-4-19(26)3)28(34)31-23-10-11-23/h4-9,12-14,16,18,23,29H,10-11,15,17H2,1-3H3,(H,31,34)(H,32,33).
What are the key properties of N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide has a molecular weight of 472.59 g/mol, XLogP of 4.61, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[[4-[[5-[(propan-2-ylamino)methyl]-2-pyridinyl]methoxy]benzoyl]amino]benzamide is sourced from PubChem (CID 11167366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).