[(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone

C19H24N4O2 — CID 126426185

IUPAC[(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCO[C@@H](CCN)C3)c2)c(N)n1
InChIInChI=1S/C19H24N4O2/c1-13-5-6-17(18(21)22-13)14-3-2-4-15(11-14)19(24)23-9-10-25-16(12-23)7-8-20/h2-6,11,16H,7-10,12,20H2,1H3,(H2,21,22)/t16-/m0/s1
InChIKeyQRMAJYJZROOHMH-INIZCTEOSA-N
MW340.43 g/mol
LogP1.83
Rot. Bonds4

About [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone

[(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone (PubChem CID 126426185) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone
PubChem CID126426185
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCO[C@@H](CCN)C3)c2)c(N)n1
InChIInChI=1S/C19H24N4O2/c1-13-5-6-17(18(21)22-13)14-3-2-4-15(11-14)19(24)23-9-10-25-16(12-23)7-8-20/h2-6,11,16H,7-10,12,20H2,1H3,(H2,21,22)/t16-/m0/s1
InChIKeyQRMAJYJZROOHMH-INIZCTEOSA-N
XLogP1.83
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone with MolForge

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Related Compounds

[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone
CID 126434480
[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
CID 154904026
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[5-(3-methylphenyl)naphthalen-2-yl]methanone
CID 175645819
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 126432738
(3-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone
CID 119881082
4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile
CID 126432915
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 129401275
4-[4-[2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]thiophene-2-carboxamide
CID 122565784
2-[4-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 126793733
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone?
The IUPAC name of [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone (CID 126426185) is [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone?
The canonical SMILES for [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone is Cc1ccc(-c2cccc(C(=O)N3CCO[C@@H](CCN)C3)c2)c(N)n1.
What is the InChIKey of [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone?
The InChIKey is QRMAJYJZROOHMH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-5-6-17(18(21)22-13)14-3-2-4-15(11-14)19(24)23-9-10-25-16(12-23)7-8-20/h2-6,11,16H,7-10,12,20H2,1H3,(H2,21,22)/t16-/m0/s1.
What are the key properties of [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone?
[(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone has a molecular weight of 340.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone is sourced from PubChem (CID 126426185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).