N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide

C12H15FN2O — CID 63979001

IUPACN-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide
SMILESCCN(CC1CC1)C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H15FN2O/c1-2-15(8-9-3-4-9)12(16)10-5-6-11(13)14-7-10/h5-7,9H,2-4,8H2,1H3
InChIKeyBPAOXHDHHIMCGR-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.09
Rot. Bonds4

About N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide

N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide (PubChem CID 63979001) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide
PubChem CID63979001
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide
SMILESCCN(CC1CC1)C(=O)c1ccc(F)nc1
InChIInChI=1S/C12H15FN2O/c1-2-15(8-9-3-4-9)12(16)10-5-6-11(13)14-7-10/h5-7,9H,2-4,8H2,1H3
InChIKeyBPAOXHDHHIMCGR-UHFFFAOYSA-N
XLogP2.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-fluorobenzamide
CID 63956728
N-(cyclopropylmethyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63954344
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903
2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 63939345
N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 63978972
N-ethyl-6-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 63973149
N-[2-(diethylamino)-2-oxoethyl]-6-fluoropyridine-3-carboxamide
CID 112696045
methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63979190
N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide
CID 63971968
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide (CID 63979001) is N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide is CCN(CC1CC1)C(=O)c1ccc(F)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide?
The InChIKey is BPAOXHDHHIMCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-15(8-9-3-4-9)12(16)10-5-6-11(13)14-7-10/h5-7,9H,2-4,8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide?
N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63979001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).