N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine

C18H15N5 — CID 167050190

IUPACN-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine
SMILESc1cnn(-c2ccc(CNc3ccc4cnccc4n3)cc2)c1
InChIInChI=1S/C18H15N5/c1-9-21-23(11-1)16-5-2-14(3-6-16)12-20-18-7-4-15-13-19-10-8-17(15)22-18/h1-11,13H,12H2,(H,20,22)
InChIKeyFCPDHWOEOKLJHB-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.43
Rot. Bonds4

About N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine

N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine (PubChem CID 167050190) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine
PubChem CID167050190
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine
SMILESc1cnn(-c2ccc(CNc3ccc4cnccc4n3)cc2)c1
InChIInChI=1S/C18H15N5/c1-9-21-23(11-1)16-5-2-14(3-6-16)12-20-18-7-4-15-13-19-10-8-17(15)22-18/h1-11,13H,12H2,(H,20,22)
InChIKeyFCPDHWOEOKLJHB-UHFFFAOYSA-N
XLogP3.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-amine
CID 83167286
6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 47053874
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
CID 62635762
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115
5,6-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
CID 72884289
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
2-bromo-5-fluoro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 107632988
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038
5-bromo-2-chloro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 63478416

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine?
The IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine (CID 167050190) is N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine is c1cnn(-c2ccc(CNc3ccc4cnccc4n3)cc2)c1.
What is the InChIKey of N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine?
The InChIKey is FCPDHWOEOKLJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-9-21-23(11-1)16-5-2-14(3-6-16)12-20-18-7-4-15-13-19-10-8-17(15)22-18/h1-11,13H,12H2,(H,20,22).
What are the key properties of N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine?
N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine has a molecular weight of 301.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridin-2-amine is sourced from PubChem (CID 167050190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).