1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen

C17H33N5O3 — CID 155713839

IUPAC1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen
SMILESCC(C)(C)c1cncc(C(=O)NNC(=O)NCCN2CCOCC2)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H27N5O3.3H2/c1-17(2,3)14-10-13(11-18-12-14)15(23)20-21-16(24)19-4-5-22-6-8-25-9-7-22;;;/h10-12H,4-9H2,1-3H3,(H,20,23)(H2,19,21,24);3*1H
InChIKeyKYMITZTVYMHRQQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.39
Rot. Bonds4

About 1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen

1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen (PubChem CID 155713839) has the molecular formula C17H33N5O3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen.

Molecular Properties

Compound Name1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen
PubChem CID155713839
Molecular FormulaC17H33N5O3
Molecular Weight355.48 g/mol
Exact Mass355.26
IUPAC Name1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen
SMILESCC(C)(C)c1cncc(C(=O)NNC(=O)NCCN2CCOCC2)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C17H27N5O3.3H2/c1-17(2,3)14-10-13(11-18-12-14)15(23)20-21-16(24)19-4-5-22-6-8-25-9-7-22;;;/h10-12H,4-9H2,1-3H3,(H,20,23)(H2,19,21,24);3*1H
InChIKeyKYMITZTVYMHRQQ-UHFFFAOYSA-N
XLogP1.39
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229662
5-N-cyclopentyl-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109102673
N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229586
5-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223173
5-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229512
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222
5-hydroxy-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63860872
5-[butyl(methyl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229497
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
5-[2-(2-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229476
5-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 46345791
5-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229499

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen?
The IUPAC name of 1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen (CID 155713839) is 1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen.
What is the SMILES notation for 1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen?
The canonical SMILES for 1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen is CC(C)(C)c1cncc(C(=O)NNC(=O)NCCN2CCOCC2)c1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen?
The InChIKey is KYMITZTVYMHRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3.3H2/c1-17(2,3)14-10-13(11-18-12-14)15(23)20-21-16(24)19-4-5-22-6-8-25-9-7-22;;;/h10-12H,4-9H2,1-3H3,(H,20,23)(H2,19,21,24);3*1H.
What are the key properties of 1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen?
1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen has a molecular weight of 355.48 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butylpyridine-3-carbonyl)amino]-3-(2-morpholin-4-ylethyl)urea;molecular hydrogen is sourced from PubChem (CID 155713839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).