N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide

C24H29N3O4 — CID 130468392

IUPACN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide
SMILESCOCCC(C)Oc1ccc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)cc1
InChIInChI=1S/C24H29N3O4/c1-15(10-11-30-5)31-18-8-6-16(7-9-18)23(29)27-21-13-17-12-19(22(28)24(2,3)4)26-20(17)14-25-21/h6-9,12-15,26H,10-11H2,1-5H3,(H,25,27,29)
InChIKeyAIRVHNVJAPMANP-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.85
Rot. Bonds8

About N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide

N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide (PubChem CID 130468392) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide
PubChem CID130468392
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide
SMILESCOCCC(C)Oc1ccc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)cc1
InChIInChI=1S/C24H29N3O4/c1-15(10-11-30-5)31-18-8-6-16(7-9-18)23(29)27-21-13-17-12-19(22(28)24(2,3)4)26-20(17)14-25-21/h6-9,12-15,26H,10-11H2,1-5H3,(H,25,27,29)
InChIKeyAIRVHNVJAPMANP-UHFFFAOYSA-N
XLogP4.85
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
CID 58409030
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 159878978
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 159008197
[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate;[4-[[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]carbamoyl]phenyl] 4-methylpiperazine-1-carboxylate
CID 160675096
5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide
CID 58408911
N-[2-[1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 76778791
methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 58852339
N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide
CID 163978628
4-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzamide
CID 67687298
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-4-(1-fluoroethoxy)benzamide
CID 145392365
2-amino-5-(4-methoxybutan-2-yloxy)benzoic acid
CID 107076827
N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide
CID 107595711

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide (CID 130468392) is N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide is COCCC(C)Oc1ccc(C(=O)Nc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)cc1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide?
The InChIKey is AIRVHNVJAPMANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-15(10-11-30-5)31-18-8-6-16(7-9-18)23(29)27-21-13-17-12-19(22(28)24(2,3)4)26-20(17)14-25-21/h6-9,12-15,26H,10-11H2,1-5H3,(H,25,27,29).
What are the key properties of N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide?
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide has a molecular weight of 423.51 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide is sourced from PubChem (CID 130468392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).