N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

C24H26N6O2 — CID 60574430

IUPACN-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCN(c2ncccc2C#N)CC1
InChIInChI=1S/C24H26N6O2/c1-17(31)28-22(14-19-16-27-21-8-3-2-7-20(19)21)24(32)30-11-5-10-29(12-13-30)23-18(15-25)6-4-9-26-23/h2-4,6-9,16,22,27H,5,10-14H2,1H3,(H,28,31)
InChIKeyHJMQEPXLWFJGOP-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.22
Rot. Bonds5

About N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 60574430) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
PubChem CID60574430
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCN(c2ncccc2C#N)CC1
InChIInChI=1S/C24H26N6O2/c1-17(31)28-22(14-19-16-27-21-8-3-2-7-20(19)21)24(32)30-11-5-10-29(12-13-30)23-18(15-25)6-4-9-26-23/h2-4,6-9,16,22,27H,5,10-14H2,1H3,(H,28,31)
InChIKeyHJMQEPXLWFJGOP-UHFFFAOYSA-N
XLogP2.22
TPSA105.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 35807048
N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 38393886
N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
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N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 55651453
N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 55981658
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
3,7,11-tris[(2S)-2-[[(2R)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-15-carboxamide
CID 56646964
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide
CID 110286403
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CID 110286442

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide (CID 60574430) is N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCN(c2ncccc2C#N)CC1.
What is the InChIKey of N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is HJMQEPXLWFJGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17(31)28-22(14-19-16-27-21-8-3-2-7-20(19)21)24(32)30-11-5-10-29(12-13-30)23-18(15-25)6-4-9-26-23/h2-4,6-9,16,22,27H,5,10-14H2,1H3,(H,28,31).
What are the key properties of N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 60574430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).