N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride

C22H32Cl2N4O — CID 120884645

IUPACN-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C22H30N4O.2ClH/c23-13-17-26(16-12-19-8-4-3-5-9-19)22(27)20-10-11-21(24-18-20)25-14-6-1-2-7-15-25;;/h3-5,8-11,18H,1-2,6-7,12-17,23H2;2*1H
InChIKeyOMFPLOZKFCYYSP-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.95
Rot. Bonds7

About N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 120884645) has the molecular formula C22H32Cl2N4O and a molecular weight of 439.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID120884645
Molecular FormulaC22H32Cl2N4O
Molecular Weight439.43 g/mol
Exact Mass438.20
IUPAC NameN-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C22H30N4O.2ClH/c23-13-17-26(16-12-19-8-4-3-5-9-19)22(27)20-10-11-21(24-18-20)25-14-6-1-2-7-15-25;;/h3-5,8-11,18H,1-2,6-7,12-17,23H2;2*1H
InChIKeyOMFPLOZKFCYYSP-UHFFFAOYSA-N
XLogP3.95
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
CID 120884964
6-(azepan-1-yl)-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 112837376
N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
CID 120886194
N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120886727
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886797
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride (CID 120884645) is N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.NCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is OMFPLOZKFCYYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O.2ClH/c23-13-17-26(16-12-19-8-4-3-5-9-19)22(27)20-10-11-21(24-18-20)25-14-6-1-2-7-15-25;;/h3-5,8-11,18H,1-2,6-7,12-17,23H2;2*1H.
What are the key properties of N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 439.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120884645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).