N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide

C24H24N4O2 — CID 46934765

IUPACN-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2c(OCCCNCc3cccnc3)cccc2[nH]1
InChIInChI=1S/C24H24N4O2/c29-24(27-19-8-2-1-3-9-19)22-15-20-21(28-22)10-4-11-23(20)30-14-6-13-26-17-18-7-5-12-25-16-18/h1-5,7-12,15-16,26,28H,6,13-14,17H2,(H,27,29)
InChIKeyHKCCMIJKTGMLCV-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.37
Rot. Bonds9

About N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide

N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide (PubChem CID 46934765) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide
PubChem CID46934765
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2c(OCCCNCc3cccnc3)cccc2[nH]1
InChIInChI=1S/C24H24N4O2/c29-24(27-19-8-2-1-3-9-19)22-15-20-21(28-22)10-4-11-23(20)30-14-6-13-26-17-18-7-5-12-25-16-18/h1-5,7-12,15-16,26,28H,6,13-14,17H2,(H,27,29)
InChIKeyHKCCMIJKTGMLCV-UHFFFAOYSA-N
XLogP4.37
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.37
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

4-methoxy-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 4910202
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide
CID 38427829
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
3-[2-(pyridin-3-ylmethylamino)ethoxy]benzoic acid
CID 103236276
4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide
CID 46934621
3-ethyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-carboxylic acid
CID 22615056
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide?
The IUPAC name of N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide (CID 46934765) is N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide.
What is the SMILES notation for N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide?
The canonical SMILES for N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide is O=C(Nc1ccccc1)c1cc2c(OCCCNCc3cccnc3)cccc2[nH]1.
What is the InChIKey of N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide?
The InChIKey is HKCCMIJKTGMLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-24(27-19-8-2-1-3-9-19)22-15-20-21(28-22)10-4-11-23(20)30-14-6-13-26-17-18-7-5-12-25-16-18/h1-5,7-12,15-16,26,28H,6,13-14,17H2,(H,27,29).
What are the key properties of N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide?
N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide is sourced from PubChem (CID 46934765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).