N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine

C17H21BrN4 — CID 133317555

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine
SMILESBrc1cncc(NCc2ccc(N3CCCCCC3)nc2)c1
InChIInChI=1S/C17H21BrN4/c18-15-9-16(13-19-12-15)20-10-14-5-6-17(21-11-14)22-7-3-1-2-4-8-22/h5-6,9,11-13,20H,1-4,7-8,10H2
InChIKeyJDOZKUUQCCAOKS-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.23
Rot. Bonds4

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine (PubChem CID 133317555) has the molecular formula C17H21BrN4 and a molecular weight of 361.29 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine
PubChem CID133317555
Molecular FormulaC17H21BrN4
Molecular Weight361.29 g/mol
Exact Mass360.09
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine
SMILESBrc1cncc(NCc2ccc(N3CCCCCC3)nc2)c1
InChIInChI=1S/C17H21BrN4/c18-15-9-16(13-19-12-15)20-10-14-5-6-17(21-11-14)22-7-3-1-2-4-8-22/h5-6,9,11-13,20H,1-4,7-8,10H2
InChIKeyJDOZKUUQCCAOKS-UHFFFAOYSA-N
XLogP4.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[[(6-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63046580
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
N-[(5-bromothiophen-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690352
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
1-[4-[(6-piperidin-1-yl-3-pyridinyl)methylamino]phenyl]butan-1-one
CID 68722266
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
1-(6-piperidin-1-yl-3-pyridinyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 56824519
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133297091

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine (CID 133317555) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine is Brc1cncc(NCc2ccc(N3CCCCCC3)nc2)c1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine?
The InChIKey is JDOZKUUQCCAOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4/c18-15-9-16(13-19-12-15)20-10-14-5-6-17(21-11-14)22-7-3-1-2-4-8-22/h5-6,9,11-13,20H,1-4,7-8,10H2.
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine has a molecular weight of 361.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-bromopyridin-3-amine is sourced from PubChem (CID 133317555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).