N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide

C24H28N4O2 — CID 72703690

IUPACN-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide
SMILESCn1cc(C[C@H](NC(=O)C2CCCCC2)C(=O)Nc2ccncc2)c2ccccc21
InChIInChI=1S/C24H28N4O2/c1-28-16-18(20-9-5-6-10-22(20)28)15-21(24(30)26-19-11-13-25-14-12-19)27-23(29)17-7-3-2-4-8-17/h5-6,9-14,16-17,21H,2-4,7-8,15H2,1H3,(H,27,29)(H,25,26,30)/t21-/m0/s1
InChIKeyILUSBRPOOCFDTN-NRFANRHFSA-N
MW404.51 g/mol
LogP3.82
Rot. Bonds6

About N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide

N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide (PubChem CID 72703690) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide
PubChem CID72703690
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide
SMILESCn1cc(C[C@H](NC(=O)C2CCCCC2)C(=O)Nc2ccncc2)c2ccccc21
InChIInChI=1S/C24H28N4O2/c1-28-16-18(20-9-5-6-10-22(20)28)15-21(24(30)26-19-11-13-25-14-12-19)27-23(29)17-7-3-2-4-8-17/h5-6,9-14,16-17,21H,2-4,7-8,15H2,1H3,(H,27,29)(H,25,26,30)/t21-/m0/s1
InChIKeyILUSBRPOOCFDTN-NRFANRHFSA-N
XLogP3.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide (CID 72703690) is N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide is Cn1cc(C[C@H](NC(=O)C2CCCCC2)C(=O)Nc2ccncc2)c2ccccc21.
What is the InChIKey of N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide?
The InChIKey is ILUSBRPOOCFDTN-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-28-16-18(20-9-5-6-10-22(20)28)15-21(24(30)26-19-11-13-25-14-12-19)27-23(29)17-7-3-2-4-8-17/h5-6,9-14,16-17,21H,2-4,7-8,15H2,1H3,(H,27,29)(H,25,26,30)/t21-/m0/s1.
What are the key properties of N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide?
N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1-methylindol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 72703690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).