N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide

C19H29N7O4 — CID 161346981

IUPACN-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide
SMILESO=C(NC1CCOCC1)c1cnc[nH]1.O=C(NCCN1CCOCC1)c1cnc[nH]1
InChIInChI=1S/C10H16N4O2.C9H13N3O2/c15-10(9-7-11-8-13-9)12-1-2-14-3-5-16-6-4-14;13-9(8-5-10-6-11-8)12-7-1-3-14-4-2-7/h7-8H,1-6H2,(H,11,13)(H,12,15);5-7H,1-4H2,(H,10,11)(H,12,13)
InChIKeyVNKZDWHZSPNHJH-UHFFFAOYSA-N
MW419.49 g/mol
LogP-0.21
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide

N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide (PubChem CID 161346981) has the molecular formula C19H29N7O4 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide
PubChem CID161346981
Molecular FormulaC19H29N7O4
Molecular Weight419.49 g/mol
Exact Mass419.23
IUPAC NameN-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide
SMILESO=C(NC1CCOCC1)c1cnc[nH]1.O=C(NCCN1CCOCC1)c1cnc[nH]1
InChIInChI=1S/C10H16N4O2.C9H13N3O2/c15-10(9-7-11-8-13-9)12-1-2-14-3-5-16-6-4-14;13-9(8-5-10-6-11-8)12-7-1-3-14-4-2-7/h7-8H,1-6H2,(H,11,13)(H,12,15);5-7H,1-4H2,(H,10,11)(H,12,13)
InChIKeyVNKZDWHZSPNHJH-UHFFFAOYSA-N
XLogP-0.21
TPSA137.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-cyclopentyl-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109102673
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110849651
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109078417
4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 170575734
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 102253634
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109275191
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689462

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide (CID 161346981) is N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide is O=C(NC1CCOCC1)c1cnc[nH]1.O=C(NCCN1CCOCC1)c1cnc[nH]1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide?
The InChIKey is VNKZDWHZSPNHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2.C9H13N3O2/c15-10(9-7-11-8-13-9)12-1-2-14-3-5-16-6-4-14;13-9(8-5-10-6-11-8)12-7-1-3-14-4-2-7/h7-8H,1-6H2,(H,11,13)(H,12,15);5-7H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide?
N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide has a molecular weight of 419.49 g/mol, XLogP of -0.21, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 161346981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).