N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide

C22H17FN4O — CID 109211474

IUPACN-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C22H17FN4O/c23-17-8-6-15(7-9-17)14-26-22(28)20-13-18(10-12-24-20)27-19-5-1-3-16-4-2-11-25-21(16)19/h1-13H,14H2,(H,24,27)(H,26,28)
InChIKeyDMFLQUAVUMEGHO-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.44
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide (PubChem CID 109211474) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
PubChem CID109211474
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Nc2cccc3cccnc23)ccn1
InChIInChI=1S/C22H17FN4O/c23-17-8-6-15(7-9-17)14-26-22(28)20-13-18(10-12-24-20)27-19-5-1-3-16-4-2-11-25-21(16)19/h1-13H,14H2,(H,24,27)(H,26,28)
InChIKeyDMFLQUAVUMEGHO-UHFFFAOYSA-N
XLogP4.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109210497
N-prop-2-enyl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109202242
N-[(4-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62249040
N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109201456
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
N-[2-(4-fluorophenyl)ethyl]-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109351150
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109217230
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213332
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109085380
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide (CID 109211474) is N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(Nc2cccc3cccnc23)ccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
The InChIKey is DMFLQUAVUMEGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c23-17-8-6-15(7-9-17)14-26-22(28)20-13-18(10-12-24-20)27-19-5-1-3-16-4-2-11-25-21(16)19/h1-13H,14H2,(H,24,27)(H,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(quinolin-8-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109211474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).