N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide

C24H29N3O3 — CID 59912847

IUPACN-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1cc(Oc2ccc(NC(=O)C3CC3(C)C)cn2)ccc1NC(=O)C1CC1(C)C
InChIInChI=1S/C24H29N3O3/c1-14-10-16(7-8-19(14)27-22(29)18-12-24(18,4)5)30-20-9-6-15(13-25-20)26-21(28)17-11-23(17,2)3/h6-10,13,17-18H,11-12H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyLGWALDBCFUVEGM-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.15
Rot. Bonds6

About N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 59912847) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID59912847
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1cc(Oc2ccc(NC(=O)C3CC3(C)C)cn2)ccc1NC(=O)C1CC1(C)C
InChIInChI=1S/C24H29N3O3/c1-14-10-16(7-8-19(14)27-22(29)18-12-24(18,4)5)30-20-9-6-15(13-25-20)26-21(28)17-11-23(17,2)3/h6-10,13,17-18H,11-12H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyLGWALDBCFUVEGM-UHFFFAOYSA-N
XLogP5.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 59912847) is N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide is Cc1cc(Oc2ccc(NC(=O)C3CC3(C)C)cn2)ccc1NC(=O)C1CC1(C)C.
What is the InChIKey of N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is LGWALDBCFUVEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-14-10-16(7-8-19(14)27-22(29)18-12-24(18,4)5)30-20-9-6-15(13-25-20)26-21(28)17-11-23(17,2)3/h6-10,13,17-18H,11-12H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 59912847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).