morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone

C16H18N4O2 — CID 109228393

IUPACmorpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCc2cccnc2)c1)N1CCOCC1
InChIInChI=1S/C16H18N4O2/c21-16(20-4-6-22-7-5-20)14-8-15(12-18-11-14)19-10-13-2-1-3-17-9-13/h1-3,8-9,11-12,19H,4-7,10H2
InChIKeyZOEZFBWRFRWYRY-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.56
Rot. Bonds4

About morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone

morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone (PubChem CID 109228393) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
PubChem CID109228393
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Namemorpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCc2cccnc2)c1)N1CCOCC1
InChIInChI=1S/C16H18N4O2/c21-16(20-4-6-22-7-5-20)14-8-15(12-18-11-14)19-10-13-2-1-3-17-9-13/h1-3,8-9,11-12,19H,4-7,10H2
InChIKeyZOEZFBWRFRWYRY-UHFFFAOYSA-N
XLogP1.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109235348
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
[5-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228397
[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109231816
5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109106016
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
5-(4-acetylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109104768
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571
[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227012

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone (CID 109228393) is morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone is O=C(c1cncc(NCc2cccnc2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone?
The InChIKey is ZOEZFBWRFRWYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(20-4-6-22-7-5-20)14-8-15(12-18-11-14)19-10-13-2-1-3-17-9-13/h1-3,8-9,11-12,19H,4-7,10H2.
What are the key properties of morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone?
morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109228393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).