2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide

C18H23N5O2 — CID 95862444

IUPAC2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESNc1ncccc1CN1CCOC[C@@H]1CC(=O)NCc1ccccn1
InChIInChI=1S/C18H23N5O2/c19-18-14(4-3-7-21-18)12-23-8-9-25-13-16(23)10-17(24)22-11-15-5-1-2-6-20-15/h1-7,16H,8-13H2,(H2,19,21)(H,22,24)/t16-/m0/s1
InChIKeyJNRFZUCZVQTANB-INIZCTEOSA-N
MW341.41 g/mol
LogP0.97
Rot. Bonds6

About 2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 95862444) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID95862444
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESNc1ncccc1CN1CCOC[C@@H]1CC(=O)NCc1ccccn1
InChIInChI=1S/C18H23N5O2/c19-18-14(4-3-7-21-18)12-23-8-9-25-13-16(23)10-17(24)22-11-15-5-1-2-6-20-15/h1-7,16H,8-13H2,(H2,19,21)(H,22,24)/t16-/m0/s1
InChIKeyJNRFZUCZVQTANB-INIZCTEOSA-N
XLogP0.97
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 56882842
2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 95897892
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95718552
tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107249690
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42065143
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108959830
3-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023269
2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 95893803
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone
CID 86796786
2-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999300

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 95862444) is 2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide is Nc1ncccc1CN1CCOC[C@@H]1CC(=O)NCc1ccccn1.
What is the InChIKey of 2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is JNRFZUCZVQTANB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-18-14(4-3-7-21-18)12-23-8-9-25-13-16(23)10-17(24)22-11-15-5-1-2-6-20-15/h1-7,16H,8-13H2,(H2,19,21)(H,22,24)/t16-/m0/s1.
What are the key properties of 2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 95862444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).