N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide

C12H14FN3O2 — CID 97084906

IUPACN-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H14FN3O2/c13-10-6-7(4-5-15-10)12(18)16-9-3-1-2-8(9)11(14)17/h4-6,8-9H,1-3H2,(H2,14,17)(H,16,18)/t8-,9-/m1/s1
InChIKeyUCAMDDBQMFSMPO-RKDXNWHRSA-N
MW251.26 g/mol
LogP0.60
Rot. Bonds3

About N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide

N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide (PubChem CID 97084906) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
PubChem CID97084906
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccnc(F)c1
InChIInChI=1S/C12H14FN3O2/c13-10-6-7(4-5-15-10)12(18)16-9-3-1-2-8(9)11(14)17/h4-6,8-9H,1-3H2,(H2,14,17)(H,16,18)/t8-,9-/m1/s1
InChIKeyUCAMDDBQMFSMPO-RKDXNWHRSA-N
XLogP0.60
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349705
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621
N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide
CID 123635888
4-bromo-N-[(1R,2R)-2-carbamoylcyclopentyl]-3-fluorobenzamide
CID 96519279
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide
CID 124601145
N-(2-carbamoylcyclohexyl)-3-chloro-4-fluorobenzamide
CID 122147253
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483
N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
CID 144683851
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
N-(2-carbamothioylcyclopentyl)-3-fluorobenzamide
CID 62956397

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide (CID 97084906) is N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide is NC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccnc(F)c1.
What is the InChIKey of N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is UCAMDDBQMFSMPO-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-10-6-7(4-5-15-10)12(18)16-9-3-1-2-8(9)11(14)17/h4-6,8-9H,1-3H2,(H2,14,17)(H,16,18)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide?
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 97084906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).