N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide

C24H29N3O2 — CID 162519496

IUPACN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide
SMILESCn1ccc2c(-c3ccc(C(=O)NC4CCC(C(C)(C)O)CC4)cc3)nccc21
InChIInChI=1S/C24H29N3O2/c1-24(2,29)18-8-10-19(11-9-18)26-23(28)17-6-4-16(5-7-17)22-20-13-15-27(3)21(20)12-14-25-22/h4-7,12-15,18-19,29H,8-11H2,1-3H3,(H,26,28)
InChIKeyRCMJVZASGWZCSZ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.30
Rot. Bonds4

About N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide (PubChem CID 162519496) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide
PubChem CID162519496
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide
SMILESCn1ccc2c(-c3ccc(C(=O)NC4CCC(C(C)(C)O)CC4)cc3)nccc21
InChIInChI=1S/C24H29N3O2/c1-24(2,29)18-8-10-19(11-9-18)26-23(28)17-6-4-16(5-7-17)22-20-13-15-27(3)21(20)12-14-25-22/h4-7,12-15,18-19,29H,8-11H2,1-3H3,(H,26,28)
InChIKeyRCMJVZASGWZCSZ-UHFFFAOYSA-N
XLogP4.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-[1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-4-yl]benzamide
CID 168938393
4-[7-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-c]pyridin-4-yl]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]benzamide
CID 168938402
N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672796
4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxyethyl)cyclohexyl]benzamide
CID 162519495
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide
CID 176791093
4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 166901154
4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide
CID 162519539
(1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate
CID 75399574
N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900588
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481322
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide (CID 162519496) is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide is Cn1ccc2c(-c3ccc(C(=O)NC4CCC(C(C)(C)O)CC4)cc3)nccc21.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide?
The InChIKey is RCMJVZASGWZCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-24(2,29)18-8-10-19(11-9-18)26-23(28)17-6-4-16(5-7-17)22-20-13-15-27(3)21(20)12-14-25-22/h4-7,12-15,18-19,29H,8-11H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide?
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide has a molecular weight of 391.52 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-4-(1-methylpyrrolo[3,2-c]pyridin-4-yl)benzamide is sourced from PubChem (CID 162519496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).