N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C23H24N4O2 — CID 11349748

IUPACN-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2(CO)CCC2)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C23H24N4O2/c28-16-23(10-2-11-23)18-4-6-19(7-5-18)27-22(29)20-3-1-12-25-21(20)26-15-17-8-13-24-14-9-17/h1,3-9,12-14,28H,2,10-11,15-16H2,(H,25,26)(H,27,29)
InChIKeyGVFDVYNOTJZPAH-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.76
Rot. Bonds7

About N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 11349748) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID11349748
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2(CO)CCC2)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C23H24N4O2/c28-16-23(10-2-11-23)18-4-6-19(7-5-18)27-22(29)20-3-1-12-25-21(20)26-15-17-8-13-24-14-9-17/h1,3-9,12-14,28H,2,10-11,15-16H2,(H,25,26)(H,27,29)
InChIKeyGVFDVYNOTJZPAH-UHFFFAOYSA-N
XLogP3.76
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11268688
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide nitrate
CID 45138817
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
N-[4-[(3S)-1-cyano-3-hydroxycyclopentyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 71748820
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
N-[3-(fluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907405
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;naphthalene-2-sulfonic acid
CID 45137170
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773471
N-[4-(1-cyanocyclopentyl)phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]pyridine-3-carboxamide;hydrochloride
CID 71313460

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 11349748) is N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(C2(CO)CCC2)cc1)c1cccnc1NCc1ccncc1.
What is the InChIKey of N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is GVFDVYNOTJZPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-16-23(10-2-11-23)18-4-6-19(7-5-18)27-22(29)20-3-1-12-25-21(20)26-15-17-8-13-24-14-9-17/h1,3-9,12-14,28H,2,10-11,15-16H2,(H,25,26)(H,27,29).
What are the key properties of N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 11349748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).