1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea

C21H37N5O2 — CID 87004096

IUPAC1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NCc1ccc(N2CC(C)OC(C)C2)nc1
InChIInChI=1S/C21H37N5O2/c1-15(2)9-19(14-25(5)6)24-21(27)23-11-18-7-8-20(22-10-18)26-12-16(3)28-17(4)13-26/h7-8,10,15-17,19H,9,11-14H2,1-6H3,(H2,23,24,27)
InChIKeyAIVKABMCEWJNMN-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.47
Rot. Bonds8

About 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea

1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea (PubChem CID 87004096) has the molecular formula C21H37N5O2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
PubChem CID87004096
Molecular FormulaC21H37N5O2
Molecular Weight391.56 g/mol
Exact Mass391.29
IUPAC Name1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
SMILESCC(C)CC(CN(C)C)NC(=O)NCc1ccc(N2CC(C)OC(C)C2)nc1
InChIInChI=1S/C21H37N5O2/c1-15(2)9-19(14-25(5)6)24-21(27)23-11-18-7-8-20(22-10-18)26-12-16(3)28-17(4)13-26/h7-8,10,15-17,19H,9,11-14H2,1-6H3,(H2,23,24,27)
InChIKeyAIVKABMCEWJNMN-UHFFFAOYSA-N
XLogP2.47
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

(3s,4r,5r)-N-Cyclopropyl-N'-[(2r)-1-Ethoxy-4-Methylpentan-2-Yl]-4-Hydroxy-N-[5-(Propan-2-Yl)pyridin-2-Yl]piperidine-3,5-Dicarboxamide
CID 25143506
Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
CID 25222059
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride
CID 118709230
N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide
CID 2741632
7-Methyl-2-morpholin-4-yl-9-(pyridin-4-ylmethylamino)pyrido[1,2-a]pyrimidin-4-one
CID 23586721
2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)butanamide
CID 24884489
N-(5-ethyl-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 24952500
N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 44157583
N-(5-amino-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 45487760
N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)pivalamide
CID 45487771
2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)pentanamide
CID 45487780

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea (CID 87004096) is 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea is CC(C)CC(CN(C)C)NC(=O)NCc1ccc(N2CC(C)OC(C)C2)nc1.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The InChIKey is AIVKABMCEWJNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O2/c1-15(2)9-19(14-25(5)6)24-21(27)23-11-18-7-8-20(22-10-18)26-12-16(3)28-17(4)13-26/h7-8,10,15-17,19H,9,11-14H2,1-6H3,(H2,23,24,27).
What are the key properties of 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea has a molecular weight of 391.56 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylpentan-2-yl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 87004096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).