N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide

C17H18FN3O2 — CID 9456004

IUPACN-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C17H18FN3O2/c18-15-4-2-1-3-13(15)12-20-17(22)16-11-14(5-6-19-16)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)
InChIKeyDVQPKZWWKNPADQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.99
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 9456004) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID9456004
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C17H18FN3O2/c18-15-4-2-1-3-13(15)12-20-17(22)16-11-14(5-6-19-16)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)
InChIKeyDVQPKZWWKNPADQ-UHFFFAOYSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Kx2-361
CID 11545920
N2,N4-Bis(2-methoxyethyl)-2,4-pyridinedicarboxamide
CID 60788
Piberaline
CID 65975
N-(6-Oxo-1,6-Dihydro-3,4'-Bipyridin-5-Yl)-4-(Piperidin-1-Yl)benzamide
CID 52936434
3-[4-(Morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione
CID 132277783
5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide
CID 53382545
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68187480
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90442604
N-(1',2-dimethyl-5'-morpholino-6'-oxo-1',6'-dihydro-[3,3'-bipyridin]-5-yl)-2-(trifluoromethyl)isonicotinamide
CID 117609603
N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117610044
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide dihydrochloride
CID 14783879
6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 134821995

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 9456004) is N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is O=C(NCc1ccccc1F)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is DVQPKZWWKNPADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-15-4-2-1-3-13(15)12-20-17(22)16-11-14(5-6-19-16)21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 9456004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).