N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide

C20H19FN4O — CID 109172077

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccnc(NCc2ccncc2)c1
InChIInChI=1S/C20H19FN4O/c21-18-4-2-1-3-16(18)7-12-24-20(26)17-8-11-23-19(13-17)25-14-15-5-9-22-10-6-15/h1-6,8-11,13H,7,12,14H2,(H,23,25)(H,24,26)
InChIKeyYPAQNLZXDRINNK-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.20
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109172077) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
PubChem CID109172077
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccnc(NCc2ccncc2)c1
InChIInChI=1S/C20H19FN4O/c21-18-4-2-1-3-16(18)7-12-24-20(26)17-8-11-23-19(13-17)25-14-15-5-9-22-10-6-15/h1-6,8-11,13H,7,12,14H2,(H,23,25)(H,24,26)
InChIKeyYPAQNLZXDRINNK-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169978
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171988
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109170646
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide (CID 109172077) is N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide is O=C(NCCc1ccccc1F)c1ccnc(NCc2ccncc2)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is YPAQNLZXDRINNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-18-4-2-1-3-16(18)7-12-24-20(26)17-8-11-23-19(13-17)25-14-15-5-9-22-10-6-15/h1-6,8-11,13H,7,12,14H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109172077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).