N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide

C16H15N5O — CID 156768782

IUPACN-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide
SMILESCCCn1cc(C#N)c2cc(NC(=O)c3cnc[nH]3)ccc21
InChIInChI=1S/C16H15N5O/c1-2-5-21-9-11(7-17)13-6-12(3-4-15(13)21)20-16(22)14-8-18-10-19-14/h3-4,6,8-10H,2,5H2,1H3,(H,18,19)(H,20,22)
InChIKeyODTVIDQHXXSNTQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.90
Rot. Bonds4

About N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide

N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide (PubChem CID 156768782) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide
PubChem CID156768782
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide
SMILESCCCn1cc(C#N)c2cc(NC(=O)c3cnc[nH]3)ccc21
InChIInChI=1S/C16H15N5O/c1-2-5-21-9-11(7-17)13-6-12(3-4-15(13)21)20-16(22)14-8-18-10-19-14/h3-4,6,8-10H,2,5H2,1H3,(H,18,19)(H,20,22)
InChIKeyODTVIDQHXXSNTQ-UHFFFAOYSA-N
XLogP2.90
TPSA86.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide
CID 156704986
N-(1-benzyl-3-cyanoindol-5-yl)pyridine-3-carboxamide
CID 156768799
propyl 4-(1H-imidazole-5-carbonylamino)benzoate
CID 63929483
N-(4-octylphenyl)-1H-imidazole-5-carboxamide
CID 177471524
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide
CID 110475376
N-(2,6-diethylphenyl)-1H-imidazole-5-carboxamide
CID 110684342
N-(3,4,5-tris-decoxyphenyl)-1H-imidazole-5-carboxamide
CID 101481437
N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide
CID 174832575
N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]azetidine-2-carboxamide
CID 167346989
(2S)-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]azetidine-2-carboxamide
CID 118735781
2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 951761
N-(3-cyano-4-propoxyphenyl)pyridine-4-carboxamide
CID 141478692

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide (CID 156768782) is N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide is CCCn1cc(C#N)c2cc(NC(=O)c3cnc[nH]3)ccc21.
What is the InChIKey of N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide?
The InChIKey is ODTVIDQHXXSNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-2-5-21-9-11(7-17)13-6-12(3-4-15(13)21)20-16(22)14-8-18-10-19-14/h3-4,6,8-10H,2,5H2,1H3,(H,18,19)(H,20,22).
What are the key properties of N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide?
N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-propylindol-5-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156768782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).