N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C12H12FN5O — CID 79353585

IUPACN-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(F)cn1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H12FN5O/c13-7-1-2-11(15-4-7)18-12(19)9-3-8-10(5-14-9)17-6-16-8/h1-2,4,6,9,14H,3,5H2,(H,16,17)(H,15,18,19)
InChIKeyQVUJVUFPHGYAKA-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.60
Rot. Bonds2

About N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79353585) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79353585
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC NameN-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(F)cn1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H12FN5O/c13-7-1-2-11(15-4-7)18-12(19)9-3-8-10(5-14-9)17-6-16-8/h1-2,4,6,9,14H,3,5H2,(H,16,17)(H,15,18,19)
InChIKeyQVUJVUFPHGYAKA-UHFFFAOYSA-N
XLogP0.60
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79353585) is N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(Nc1ccc(F)cn1)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is QVUJVUFPHGYAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O/c13-7-1-2-11(15-4-7)18-12(19)9-3-8-10(5-14-9)17-6-16-8/h1-2,4,6,9,14H,3,5H2,(H,16,17)(H,15,18,19).
What are the key properties of N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79353585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).