5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide

C23H28N4O2 — CID 83281992

IUPAC5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCCCn1c(C(=O)NCc2ccncc2)cc2cc(NC(=O)CC(C)C)ccc21
InChIInChI=1S/C23H28N4O2/c1-4-11-27-20-6-5-19(26-22(28)12-16(2)3)13-18(20)14-21(27)23(29)25-15-17-7-9-24-10-8-17/h5-10,13-14,16H,4,11-12,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyCJMHOEAYGCGUPC-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.36
Rot. Bonds8

About 5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide

5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide (PubChem CID 83281992) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
PubChem CID83281992
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
SMILESCCCn1c(C(=O)NCc2ccncc2)cc2cc(NC(=O)CC(C)C)ccc21
InChIInChI=1S/C23H28N4O2/c1-4-11-27-20-6-5-19(26-22(28)12-16(2)3)13-18(20)14-21(27)23(29)25-15-17-7-9-24-10-8-17/h5-10,13-14,16H,4,11-12,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyCJMHOEAYGCGUPC-UHFFFAOYSA-N
XLogP4.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide
CID 90488214
N-benzyl-1-butyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83281798
N-benzyl-1-butyl-5-[(4-methylbenzoyl)amino]indole-2-carboxamide
CID 83288380
N-benzyl-1-butyl-5-(cyclobutanecarbonylamino)indole-2-carboxamide
CID 91635045
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
CID 83281983
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
CID 131927243
3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide
CID 113042195
N-benzyl-1-[(3-methylphenyl)methyl]-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
CID 83287300
3-methyl-N-(1-methylindazol-6-yl)butanamide
CID 110460673
N-[1-(2-methoxyethyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide
CID 35176961
1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110852155
5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 54425705

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The IUPAC name of 5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide (CID 83281992) is 5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide is CCCn1c(C(=O)NCc2ccncc2)cc2cc(NC(=O)CC(C)C)ccc21.
What is the InChIKey of 5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
The InChIKey is CJMHOEAYGCGUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-11-27-20-6-5-19(26-22(28)12-16(2)3)13-18(20)14-21(27)23(29)25-15-17-7-9-24-10-8-17/h5-10,13-14,16H,4,11-12,15H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide?
5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutanoylamino)-1-propyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 83281992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).