4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine

C19H22N6 — CID 177366069

IUPAC4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine
SMILESc1cc(N2CCCNCC2)cc(NCc2ccc3nccnc3c2)n1
InChIInChI=1S/C19H22N6/c1-5-20-9-11-25(10-1)16-4-6-23-19(13-16)24-14-15-2-3-17-18(12-15)22-8-7-21-17/h2-4,6-8,12-13,20H,1,5,9-11,14H2,(H,23,24)
InChIKeyVWQKQFSXHHLLOE-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.44
Rot. Bonds4

About 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine

4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine (PubChem CID 177366069) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine
PubChem CID177366069
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine
SMILESc1cc(N2CCCNCC2)cc(NCc2ccc3nccnc3c2)n1
InChIInChI=1S/C19H22N6/c1-5-20-9-11-25(10-1)16-4-6-23-19(13-16)24-14-15-2-3-17-18(12-15)22-8-7-21-17/h2-4,6-8,12-13,20H,1,5,9-11,14H2,(H,23,24)
InChIKeyVWQKQFSXHHLLOE-UHFFFAOYSA-N
XLogP2.44
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine with MolForge

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Related Compounds

2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937037
N-benzyl-4-imidazolidin-1-ylpyridin-2-amine
CID 143912574
4-N-(azetidin-3-yl)-2-N-(quinoxalin-6-ylmethyl)pyridine-2,4-diamine;hydrochloride
CID 177366109
N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine;dihydrochloride
CID 67087405
4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
CID 168937210
ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936937
6-(1,4-diazepan-1-yl)quinoline
CID 62635992
3-[3-oxo-6-[[(4-piperazin-1-yl-2-pyridinyl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736615
4-(1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 61402818
dichloroosmium;bis(1-[2-(4-piperazin-1-yl-2-pyridinyl)-4-pyridinyl]piperazine)
CID 144800267
N-(2,1,3-benzothiadiazol-5-ylmethyl)-5-pyrrolidin-1-ylpyridin-2-amine
CID 167859881
N-(4-piperazin-1-yl-2-pyridinyl)-1,6-naphthyridin-2-amine
CID 171795758

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine (CID 177366069) is 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine is c1cc(N2CCCNCC2)cc(NCc2ccc3nccnc3c2)n1.
What is the InChIKey of 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine?
The InChIKey is VWQKQFSXHHLLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-5-20-9-11-25(10-1)16-4-6-23-19(13-16)24-14-15-2-3-17-18(12-15)22-8-7-21-17/h2-4,6-8,12-13,20H,1,5,9-11,14H2,(H,23,24).
What are the key properties of 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine?
4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine has a molecular weight of 334.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 177366069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).