2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide

C20H28N4O2 — CID 123744950

IUPAC2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide
SMILESCC(C)NC(=O)c1c(N)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12
InChIInChI=1S/C20H28N4O2/c1-12(2)22-19(25)17-15-10-9-14(11-16(15)23-18(17)21)24(3)20(26)13-7-5-4-6-8-13/h9-13,23H,4-8,21H2,1-3H3,(H,22,25)
InChIKeyKWQFHCJRRONKGE-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.43
Rot. Bonds4

About 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide

2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide (PubChem CID 123744950) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide
PubChem CID123744950
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide
SMILESCC(C)NC(=O)c1c(N)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12
InChIInChI=1S/C20H28N4O2/c1-12(2)22-19(25)17-15-10-9-14(11-16(15)23-18(17)21)24(3)20(26)13-7-5-4-6-8-13/h9-13,23H,4-8,21H2,1-3H3,(H,22,25)
InChIKeyKWQFHCJRRONKGE-UHFFFAOYSA-N
XLogP3.43
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293916
2,3-dimethyl-4-[(3S)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
CID 121294024
2,3-Dimethyl-4-[[1-(1-oxo-2-propyn-1-yl)-4-piperidinyl]amino]-1H-indole-7-carboxamide
CID 121294051
N-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
CID 145945998
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-2-methyl-1-(1-phenylethyl)-1H-indole-3-carboxamide
CID 71661182
1-sec-butyl-N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-2-methyl-1H-indole-3-carboxamide
CID 71715924
2,3-dimethyl-4-[3-(prop-2-enoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
CID 121293825
2,3-dimethyl-4-[(1-prop-2-enoylpiperidin-4-yl)amino]-1H-indole-7-carboxamide
CID 121293953
2,3-dimethyl-4-[3-(prop-2-enoylamino)pyrrolidin-1-yl]-1H-indole-7-carboxamide
CID 121294047
2,3-dimethyl-4-[(3R)-3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
CID 121294103
2,3-dimethyl-4-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121294112
2,3-dimethyl-4-[(1-prop-2-ynoylpiperidin-3-yl)amino]-1H-indole-7-carboxamide
CID 121294213

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide?
The IUPAC name of 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide (CID 123744950) is 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide?
The canonical SMILES for 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide is CC(C)NC(=O)c1c(N)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12.
What is the InChIKey of 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide?
The InChIKey is KWQFHCJRRONKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-12(2)22-19(25)17-15-10-9-14(11-16(15)23-18(17)21)24(3)20(26)13-7-5-4-6-8-13/h9-13,23H,4-8,21H2,1-3H3,(H,22,25).
What are the key properties of 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide?
2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 123744950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).