N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide

C16H23N5O — CID 22729680

IUPACN-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide
SMILESCc1nc(N)c2nc(C)n(CCCNC(=O)C3CC3)c2c1C
InChIInChI=1S/C16H23N5O/c1-9-10(2)19-15(17)13-14(9)21(11(3)20-13)8-4-7-18-16(22)12-5-6-12/h12H,4-8H2,1-3H3,(H2,17,19)(H,18,22)
InChIKeyMLIXBVPOCGWXFK-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.86
Rot. Bonds5

About N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide

N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide (PubChem CID 22729680) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide
PubChem CID22729680
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide
SMILESCc1nc(N)c2nc(C)n(CCCNC(=O)C3CC3)c2c1C
InChIInChI=1S/C16H23N5O/c1-9-10(2)19-15(17)13-14(9)21(11(3)20-13)8-4-7-18-16(22)12-5-6-12/h12H,4-8H2,1-3H3,(H2,17,19)(H,18,22)
InChIKeyMLIXBVPOCGWXFK-UHFFFAOYSA-N
XLogP1.86
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide (CID 22729680) is N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide is Cc1nc(N)c2nc(C)n(CCCNC(=O)C3CC3)c2c1C.
What is the InChIKey of N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide?
The InChIKey is MLIXBVPOCGWXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-9-10(2)19-15(17)13-14(9)21(11(3)20-13)8-4-7-18-16(22)12-5-6-12/h12H,4-8H2,1-3H3,(H2,17,19)(H,18,22).
What are the key properties of N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide?
N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide is sourced from PubChem (CID 22729680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).