N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C22H18N4O — CID 22249311

IUPACN-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cccnc1NCc1ccncc1
InChIInChI=1S/C22H18N4O/c27-22(26-20-9-3-6-17-5-1-2-7-18(17)20)19-8-4-12-24-21(19)25-15-16-10-13-23-14-11-16/h1-14H,15H2,(H,24,25)(H,26,27)
InChIKeyJMOIDPITTVZCMW-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.49
Rot. Bonds5

About N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 22249311) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID22249311
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cccnc1NCc1ccncc1
InChIInChI=1S/C22H18N4O/c27-22(26-20-9-3-6-17-5-1-2-7-18(17)20)19-8-4-12-24-21(19)25-15-16-10-13-23-14-11-16/h1-14H,15H2,(H,24,25)(H,26,27)
InChIKeyJMOIDPITTVZCMW-UHFFFAOYSA-N
XLogP4.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]benzoate;hydrochloride
CID 141081595
2-(benzylamino)-N-(2-bromophenyl)pyridine-3-carboxamide
CID 23632780
N-[3-(fluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907405
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773471
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid
CID 71396226
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 3320057
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)thiourea
CID 2807327

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 22249311) is N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1cccc2ccccc12)c1cccnc1NCc1ccncc1.
What is the InChIKey of N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is JMOIDPITTVZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(26-20-9-3-6-17-5-1-2-7-18(17)20)19-8-4-12-24-21(19)25-15-16-10-13-23-14-11-16/h1-14H,15H2,(H,24,25)(H,26,27).
What are the key properties of N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 22249311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).