1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride

C17H31ClN4O — CID 12857648

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride
SMILESCc1cccc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)n1.Cl
InChIInChI=1S/C17H30N4O.ClH/c1-13(2)20(14(3)4)11-12-21(17(22)19(6)7)16-10-8-9-15(5)18-16;/h8-10,13-14H,11-12H2,1-7H3;1H
InChIKeyQIONJRYDWWYIMQ-UHFFFAOYSA-N
MW342.92 g/mol
LogP3.42
Rot. Bonds6

About 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride

1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride (PubChem CID 12857648) has the molecular formula C17H31ClN4O and a molecular weight of 342.92 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride
PubChem CID12857648
Molecular FormulaC17H31ClN4O
Molecular Weight342.92 g/mol
Exact Mass342.22
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride
SMILESCc1cccc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)n1.Cl
InChIInChI=1S/C17H30N4O.ClH/c1-13(2)20(14(3)4)11-12-21(17(22)19(6)7)16-10-8-9-15(5)18-16;/h8-10,13-14H,11-12H2,1-7H3;1H
InChIKeyQIONJRYDWWYIMQ-UHFFFAOYSA-N
XLogP3.42
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.92
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride with MolForge

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Related Compounds

Propiram
CID 26216
2-Acetamido-6-methylpyridine
CID 220486
1-(6-Methylpyridin-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345
1-(6-Methylpyridin-2-yl)-4-(6-(4-phenylpiperazin-1-yl)hexyl)piperazine
CID 11604196
1-(2,2-Dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
CID 51036701
Piperazine, 1-(6-methyl-2-pyridinyl)-, dihydrochloride
CID 3078152
1-(6-Methylpyridin-2-yl)-3-propylurea
CID 6469265
N-methyl-N-phenyl-4-(2-pyridinyl)-1-piperazinecarboxamide
CID 969696
N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide
CID 53323541
Acetamide, N-(1-methyl-2-(1-piperidinyl)ethyl)-N-2-pyridinyl-
CID 27937
Propanamide, N-(2-(1-piperidinyl)propyl)-N-2-pyridinyl-
CID 3041469

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride (CID 12857648) is 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride is Cc1cccc(N(CCN(C(C)C)C(C)C)C(=O)N(C)C)n1.Cl.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride?
The InChIKey is QIONJRYDWWYIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O.ClH/c1-13(2)20(14(3)4)11-12-21(17(22)19(6)7)16-10-8-9-15(5)18-16;/h8-10,13-14H,11-12H2,1-7H3;1H.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride?
1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride has a molecular weight of 342.92 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-(6-methyl-2-pyridinyl)urea;hydrochloride is sourced from PubChem (CID 12857648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).