N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine

C19H28N4O — CID 26394420

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine
SMILESCCc1ccc(CNCc2cccnc2N2CCCN(C)CC2)o1
InChIInChI=1S/C19H28N4O/c1-3-17-7-8-18(24-17)15-20-14-16-6-4-9-21-19(16)23-11-5-10-22(2)12-13-23/h4,6-9,20H,3,5,10-15H2,1-2H3
InChIKeyMYZLQKMUENNNJC-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.67
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine

N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine (PubChem CID 26394420) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine
PubChem CID26394420
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine
SMILESCCc1ccc(CNCc2cccnc2N2CCCN(C)CC2)o1
InChIInChI=1S/C19H28N4O/c1-3-17-7-8-18(24-17)15-20-14-16-6-4-9-21-19(16)23-11-5-10-22(2)12-13-23/h4,6-9,20H,3,5,10-15H2,1-2H3
InChIKeyMYZLQKMUENNNJC-UHFFFAOYSA-N
XLogP2.67
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
1-(2,2-dimethyloxan-4-yl)-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]methanamine
CID 45251381
(3R)-1-[3-[[(5-methylfuran-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 25282607
1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 45204429
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]piperidine-1-sulfonamide
CID 29087481
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 26402282
N-[[3-fluoro-2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388920
1-[(1S)-cyclohex-3-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]methanamine
CID 124568387
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970569
(1S)-1-(5-ethylfuran-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 97229911

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine (CID 26394420) is N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine is CCc1ccc(CNCc2cccnc2N2CCCN(C)CC2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine?
The InChIKey is MYZLQKMUENNNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-17-7-8-18(24-17)15-20-14-16-6-4-9-21-19(16)23-11-5-10-22(2)12-13-23/h4,6-9,20H,3,5,10-15H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine?
N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine has a molecular weight of 328.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 26394420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).