N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide

C16H20N6O — CID 157015268

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2ccc3ccn(C)c3n2)n1
InChIInChI=1S/C16H20N6O/c1-11-18-12(2)22(20-11)9-4-8-17-16(23)14-6-5-13-7-10-21(3)15(13)19-14/h5-7,10H,4,8-9H2,1-3H3,(H,17,23)
InChIKeyPJSULXNADAWUJS-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.60
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 157015268) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID157015268
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2ccc3ccn(C)c3n2)n1
InChIInChI=1S/C16H20N6O/c1-11-18-12(2)22(20-11)9-4-8-17-16(23)14-6-5-13-7-10-21(3)15(13)19-14/h5-7,10H,4,8-9H2,1-3H3,(H,17,23)
InChIKeyPJSULXNADAWUJS-UHFFFAOYSA-N
XLogP1.60
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-fluoro-2-hydroxybenzamide
CID 91777209
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CID 91785507
3,5-dichloro-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzamide
CID 72896651
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 131943793
1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(4-methylphenyl)urea
CID 72891236
(2R)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylpropanamide
CID 126450922
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91793548
(2S)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethoxypropanamide
CID 126433222
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131902729
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 91843238
3-(azepan-1-ylmethyl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]benzamide
CID 118792731
N-[3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylcarbamoylamino]-2-methylphenyl]-2-methoxyacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide (CID 157015268) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide is Cc1nc(C)n(CCCNC(=O)c2ccc3ccn(C)c3n2)n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is PJSULXNADAWUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11-18-12(2)22(20-11)9-4-8-17-16(23)14-6-5-13-7-10-21(3)15(13)19-14/h5-7,10H,4,8-9H2,1-3H3,(H,17,23).
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 157015268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).