N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide

C16H17FN2O2 — CID 125490188

IUPACN-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide
SMILESCCCOc1ccncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-2-9-21-15-7-8-18-11-14(15)16(20)19-10-12-3-5-13(17)6-4-12/h3-8,11H,2,9-10H2,1H3,(H,19,20)
InChIKeyCNKWPCVCNMQVRO-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.94
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide (PubChem CID 125490188) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide
PubChem CID125490188
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide
SMILESCCCOc1ccncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-2-9-21-15-7-8-18-11-14(15)16(20)19-10-12-3-5-13(17)6-4-12/h3-8,11H,2,9-10H2,1H3,(H,19,20)
InChIKeyCNKWPCVCNMQVRO-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66483281
3-fluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 115645463
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116782
2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
CID 112836023
3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 115645741

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide (CID 125490188) is N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide is CCCOc1ccncc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide?
The InChIKey is CNKWPCVCNMQVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-9-21-15-7-8-18-11-14(15)16(20)19-10-12-3-5-13(17)6-4-12/h3-8,11H,2,9-10H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide is sourced from PubChem (CID 125490188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).