2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride

C18H24Cl2N4O2 — CID 120595013

IUPAC2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride
SMILESCC(N)(C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H22N4O2.2ClH/c1-18(19,14-5-3-2-4-6-14)17(23)21-15-7-8-16(20-13-15)22-9-11-24-12-10-22;;/h2-8,13H,9-12,19H2,1H3,(H,21,23);2*1H
InChIKeyZXZKEXVVFOHXED-UHFFFAOYSA-N
MW399.32 g/mol
LogP2.57
Rot. Bonds4

About 2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride

2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride (PubChem CID 120595013) has the molecular formula C18H24Cl2N4O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is 2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride
PubChem CID120595013
Molecular FormulaC18H24Cl2N4O2
Molecular Weight399.32 g/mol
Exact Mass398.13
IUPAC Name2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride
SMILESCC(N)(C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H22N4O2.2ClH/c1-18(19,14-5-3-2-4-6-14)17(23)21-15-7-8-16(20-13-15)22-9-11-24-12-10-22;;/h2-8,13H,9-12,19H2,1H3,(H,21,23);2*1H
InChIKeyZXZKEXVVFOHXED-UHFFFAOYSA-N
XLogP2.57
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
2-(4-chlorophenyl)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55871199
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
(2S)-2-amino-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 61180630
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
CID 119839707

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride (CID 120595013) is 2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride is CC(N)(C(=O)Nc1ccc(N2CCOCC2)nc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride?
The InChIKey is ZXZKEXVVFOHXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.2ClH/c1-18(19,14-5-3-2-4-6-14)17(23)21-15-7-8-16(20-13-15)22-9-11-24-12-10-22;;/h2-8,13H,9-12,19H2,1H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride?
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride has a molecular weight of 399.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120595013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).