(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride

C19H26Cl2N4O2 — CID 119839457

IUPAC(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H24N4O2.2ClH/c20-17(12-15-4-2-1-3-5-15)19(24)22-14-16-6-7-18(21-13-16)23-8-10-25-11-9-23;;/h1-7,13,17H,8-12,14,20H2,(H,22,24);2*1H/t17-;;/m0../s1
InChIKeyRYAXIETYIGIAMI-RMRYJAPISA-N
MW413.35 g/mol
LogP1.95
Rot. Bonds6

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

(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119839457) has the molecular formula C19H26Cl2N4O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119839457
Molecular FormulaC19H26Cl2N4O2
Molecular Weight413.35 g/mol
Exact Mass412.14
IUPAC Name(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCl.Cl.N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H24N4O2.2ClH/c20-17(12-15-4-2-1-3-5-15)19(24)22-14-16-6-7-18(21-13-16)23-8-10-25-11-9-23;;/h1-7,13,17H,8-12,14,20H2,(H,22,24);2*1H/t17-;;/m0../s1
InChIKeyRYAXIETYIGIAMI-RMRYJAPISA-N
XLogP1.95
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride with MolForge

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Related Compounds

2-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylpropanamide;trihydrochloride
CID 119901240
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate
CID 67384624
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 98753721
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
2-(2-chlorophenoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 46581557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride (CID 119839457) is (2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride is Cl.Cl.N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of (2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is RYAXIETYIGIAMI-RMRYJAPISA-N. The full InChI is InChI=1S/C19H24N4O2.2ClH/c20-17(12-15-4-2-1-3-5-15)19(24)22-14-16-6-7-18(21-13-16)23-8-10-25-11-9-23;;/h1-7,13,17H,8-12,14,20H2,(H,22,24);2*1H/t17-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride?
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 413.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119839457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).