4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile

C21H19BrN4 — CID 11661437

IUPAC4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCCN2Cc2ccncc2Br)c2ccccc12
InChIInChI=1S/C21H19BrN4/c22-20-14-24-10-9-17(20)15-25-11-3-4-12-26(25)21-8-7-16(13-23)18-5-1-2-6-19(18)21/h1-2,5-10,14H,3-4,11-12,15H2
InChIKeyUMSFLWAFNWSNER-UHFFFAOYSA-N
MW407.32 g/mol
LogP4.89
Rot. Bonds3

About 4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile

4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile (PubChem CID 11661437) has the molecular formula C21H19BrN4 and a molecular weight of 407.32 g/mol. Its IUPAC name is 4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
PubChem CID11661437
Molecular FormulaC21H19BrN4
Molecular Weight407.32 g/mol
Exact Mass406.08
IUPAC Name4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCCN2Cc2ccncc2Br)c2ccccc12
InChIInChI=1S/C21H19BrN4/c22-20-14-24-10-9-17(20)15-25-11-3-4-12-26(25)21-8-7-16(13-23)18-5-1-2-6-19(18)21/h1-2,5-10,14H,3-4,11-12,15H2
InChIKeyUMSFLWAFNWSNER-UHFFFAOYSA-N
XLogP4.89
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(pyridin-2-ylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11529980
4-[2-[(5-methyl-1H-imidazol-4-yl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11716955
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-[(4-methoxyphenyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559501
4-[2-(cyclohexylmethyl)diazinan-1-yl]naphthalene-1-carbonitrile
CID 11559047
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
4-[2-[2-(2-fluoro-3-methylphenyl)acetyl]diazinan-1-yl]naphthalene-1-carbonitrile
CID 143284425
4-(3-sulfanylpyrrolo[3,2-c]pyridin-1-yl)naphthalene-1-carbonitrile
CID 175122968
4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile
CID 139483438
3-bromo-4-piperidin-1-ylnaphthalene-1-carbonitrile
CID 23079959

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile (CID 11661437) is 4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile is N#Cc1ccc(N2CCCCN2Cc2ccncc2Br)c2ccccc12.
What is the InChIKey of 4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
The InChIKey is UMSFLWAFNWSNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4/c22-20-14-24-10-9-17(20)15-25-11-3-4-12-26(25)21-8-7-16(13-23)18-5-1-2-6-19(18)21/h1-2,5-10,14H,3-4,11-12,15H2.
What are the key properties of 4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile?
4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile has a molecular weight of 407.32 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-bromo-4-pyridinyl)methyl]diazinan-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 11661437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).