N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide

C20H20N6O4 — CID 72717065

IUPACN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCc2ccnc(N3CCOCC3)c2)co1)c1ccncc1
InChIInChI=1S/C20H20N6O4/c27-18(15-2-4-21-5-3-15)25-20-24-16(13-30-20)19(28)23-12-14-1-6-22-17(11-14)26-7-9-29-10-8-26/h1-6,11,13H,7-10,12H2,(H,23,28)(H,24,25,27)
InChIKeySZMCSGQJGVQYOC-UHFFFAOYSA-N
MW408.42 g/mol
LogP1.48
Rot. Bonds6

About N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 72717065) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID72717065
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCc2ccnc(N3CCOCC3)c2)co1)c1ccncc1
InChIInChI=1S/C20H20N6O4/c27-18(15-2-4-21-5-3-15)25-20-24-16(13-30-20)19(28)23-12-14-1-6-22-17(11-14)26-7-9-29-10-8-26/h1-6,11,13H,7-10,12H2,(H,23,28)(H,24,25,27)
InChIKeySZMCSGQJGVQYOC-UHFFFAOYSA-N
XLogP1.48
TPSA122.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 120641687
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 162429786
2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid
CID 91669614
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32584541
4-[(1-methylimidazol-2-yl)methoxy]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 47054802
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide (CID 72717065) is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(Nc1nc(C(=O)NCc2ccnc(N3CCOCC3)c2)co1)c1ccncc1.
What is the InChIKey of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is SZMCSGQJGVQYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c27-18(15-2-4-21-5-3-15)25-20-24-16(13-30-20)19(28)23-12-14-1-6-22-17(11-14)26-7-9-29-10-8-26/h1-6,11,13H,7-10,12H2,(H,23,28)(H,24,25,27).
What are the key properties of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide?
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72717065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).