5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide

C20H21FN4O2 — CID 130273479

IUPAC5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
SMILESO=Cc1ncccc1NC12CCCC(NC(=O)c3ccc(F)cn3)(CC1)C2
InChIInChI=1S/C20H21FN4O2/c21-14-4-5-16(23-11-14)18(27)25-20-7-2-6-19(13-20,8-9-20)24-15-3-1-10-22-17(15)12-26/h1,3-5,10-12,24H,2,6-9,13H2,(H,25,27)
InChIKeyHTBITDQJGNLJIU-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.12
Rot. Bonds5

About 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide

5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide (PubChem CID 130273479) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
PubChem CID130273479
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
SMILESO=Cc1ncccc1NC12CCCC(NC(=O)c3ccc(F)cn3)(CC1)C2
InChIInChI=1S/C20H21FN4O2/c21-14-4-5-16(23-11-14)18(27)25-20-7-2-6-19(13-20,8-9-20)24-15-3-1-10-22-17(15)12-26/h1,3-5,10-12,24H,2,6-9,13H2,(H,25,27)
InChIKeyHTBITDQJGNLJIU-UHFFFAOYSA-N
XLogP3.12
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(ethylamino)-1-bicyclo[3.2.1]octanyl]-5-fluoropyridine-2-carboxamide
CID 123342907
4-methyl-N-[5-(pyridine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 70496351
N-[5-[[2-[(Z)-1-methylsulfanylprop-1-en-2-yl]iminoacetyl]amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 57404601
6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 57407036
N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide
CID 70497277
3-[(5-fluoropyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 104638297
N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide
CID 118410766
5-fluoro-N-[3-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)-1-adamantyl]pyridine-2-carboxamide
CID 53327367
6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70498117
N-[3-[1-[(4-fluorobenzoyl)amino]cyclopropyl]-1-bicyclo[1.1.1]pentanyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 162499112
2-[1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104638357
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide
CID 104643153

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide (CID 130273479) is 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide is O=Cc1ncccc1NC12CCCC(NC(=O)c3ccc(F)cn3)(CC1)C2.
What is the InChIKey of 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The InChIKey is HTBITDQJGNLJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-14-4-5-16(23-11-14)18(27)25-20-7-2-6-19(13-20,8-9-20)24-15-3-1-10-22-17(15)12-26/h1,3-5,10-12,24H,2,6-9,13H2,(H,25,27).
What are the key properties of 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[(2-formyl-3-pyridinyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide is sourced from PubChem (CID 130273479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).