4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile

C21H20N4 — CID 11529980

IUPAC4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCCN2Cc2ccccn2)c2ccccc12
InChIInChI=1S/C21H20N4/c22-15-17-10-11-21(20-9-2-1-8-19(17)20)25-14-6-5-13-24(25)16-18-7-3-4-12-23-18/h1-4,7-12H,5-6,13-14,16H2
InChIKeyPSARLGFANVOLJV-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.12
Rot. Bonds3

About 4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile

4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile (PubChem CID 11529980) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
PubChem CID11529980
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCCN2Cc2ccccn2)c2ccccc12
InChIInChI=1S/C21H20N4/c22-15-17-10-11-21(20-9-2-1-8-19(17)20)25-14-6-5-13-24(25)16-18-7-3-4-12-23-18/h1-4,7-12H,5-6,13-14,16H2
InChIKeyPSARLGFANVOLJV-UHFFFAOYSA-N
XLogP4.12
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11661437
4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11716955
4-[2-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559501
4-[2-(cyclohexylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559047
4-[2-[(5-ethynyl-3-pyridinyl)methyl]diazepan-1-yl]naphthalene-1-carbonitrile
CID 143284428
4-[2-[(Z)-2,3-diaminoprop-2-enyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 143284429
4-[2-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11552230
4-[2-[[3-(1,1-difluoroethyl)phenyl]methyl]diazepan-1-yl]naphthalene-1-carbonitrile
CID 143284394
1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
CID 117007901
4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 143284425
2-chloro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzonitrile
CID 71978279
4-(3-sulfanylpyrrolo[2,3-b]pyridin-1-yl)naphthalene-1-carbonitrile
CID 175121372

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile (CID 11529980) is 4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile is N#Cc1ccc(N2CCCCN2Cc2ccccn2)c2ccccc12.
What is the InChIKey of 4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile?
The InChIKey is PSARLGFANVOLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c22-15-17-10-11-21(20-9-2-1-8-19(17)20)25-14-6-5-13-24(25)16-18-7-3-4-12-23-18/h1-4,7-12H,5-6,13-14,16H2.
What are the key properties of 4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile?
4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 11529980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).