N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide

C18H21N5O — CID 71707606

IUPACN-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide
SMILESO=C(CCCCCNc1ncccn1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H21N5O/c24-17(23-15-6-7-16-14(13-15)8-12-19-16)5-2-1-3-9-20-18-21-10-4-11-22-18/h4,6-8,10-13,19H,1-3,5,9H2,(H,23,24)(H,20,21,22)
InChIKeyIMNYIOMCZALZAB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.57
Rot. Bonds8

About N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide

N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide (PubChem CID 71707606) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide
PubChem CID71707606
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide
SMILESO=C(CCCCCNc1ncccn1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C18H21N5O/c24-17(23-15-6-7-16-14(13-15)8-12-19-16)5-2-1-3-9-20-18-21-10-4-11-22-18/h4,6-8,10-13,19H,1-3,5,9H2,(H,23,24)(H,20,21,22)
InChIKeyIMNYIOMCZALZAB-UHFFFAOYSA-N
XLogP3.57
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide
CID 71708363
N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide
CID 61249519
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 91821938
N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
CID 59103523
4-(1H-indol-5-ylamino)butanoic acid
CID 82539531
N-(1H-indol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71867008
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
CID 110730751
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
2-(3-fluorophenoxy)-N-(1H-indol-5-yl)acetamide
CID 110730759

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide?
The IUPAC name of N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide (CID 71707606) is N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide.
What is the SMILES notation for N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide?
The canonical SMILES for N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide is O=C(CCCCCNc1ncccn1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide?
The InChIKey is IMNYIOMCZALZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-17(23-15-6-7-16-14(13-15)8-12-19-16)5-2-1-3-9-20-18-21-10-4-11-22-18/h4,6-8,10-13,19H,1-3,5,9H2,(H,23,24)(H,20,21,22).
What are the key properties of N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide?
N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide has a molecular weight of 323.40 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide is sourced from PubChem (CID 71707606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).