N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride

C21H32Cl2N4O — CID 120886727

IUPACN-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCCN(c1ccc(C(=O)N(CCN)CCc2ccccc2)cn1)C(C)C.Cl.Cl
InChIInChI=1S/C21H30N4O.2ClH/c1-4-25(17(2)3)20-11-10-19(16-23-20)21(26)24(15-13-22)14-12-18-8-6-5-7-9-18;;/h5-11,16-17H,4,12-15,22H2,1-3H3;2*1H
InChIKeyMXZHDKCMJJPCKG-UHFFFAOYSA-N
MW427.42 g/mol
LogP3.80
Rot. Bonds9

About N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 120886727) has the molecular formula C21H32Cl2N4O and a molecular weight of 427.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID120886727
Molecular FormulaC21H32Cl2N4O
Molecular Weight427.42 g/mol
Exact Mass426.20
IUPAC NameN-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCCN(c1ccc(C(=O)N(CCN)CCc2ccccc2)cn1)C(C)C.Cl.Cl
InChIInChI=1S/C21H30N4O.2ClH/c1-4-25(17(2)3)20-11-10-19(16-23-20)21(26)24(15-13-22)14-12-18-8-6-5-7-9-18;;/h5-11,16-17H,4,12-15,22H2,1-3H3;2*1H
InChIKeyMXZHDKCMJJPCKG-UHFFFAOYSA-N
XLogP3.80
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109161088
N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120884645
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886301
N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 120885951
N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 120884650
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120886892

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride (CID 120886727) is N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride is CCN(c1ccc(C(=O)N(CCN)CCc2ccccc2)cn1)C(C)C.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is MXZHDKCMJJPCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O.2ClH/c1-4-25(17(2)3)20-11-10-19(16-23-20)21(26)24(15-13-22)14-12-18-8-6-5-7-9-18;;/h5-11,16-17H,4,12-15,22H2,1-3H3;2*1H.
What are the key properties of N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 427.42 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120886727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).