deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea

C19H26N4O — CID 161217615

IUPACdeuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccc(-c3ccccc3)nc2)CC1.[H][2H]
InChIInChI=1S/C19H24N4O.H2/c1-22-12-10-17(11-13-22)23(2)19(24)21-16-8-9-18(20-14-16)15-6-4-3-5-7-15;/h3-9,14,17H,10-13H2,1-2H3,(H,21,24);1H/i;1+1
InChIKeyUXBRNVLYMBVEDC-IEOVAKBOSA-N
MW327.45 g/mol
LogP3.55
Rot. Bonds3

About deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea

deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea (PubChem CID 161217615) has the molecular formula C19H26N4O and a molecular weight of 327.45 g/mol. Its IUPAC name is deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea.

Molecular Properties

Compound Namedeuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea
PubChem CID161217615
Molecular FormulaC19H26N4O
Molecular Weight327.45 g/mol
Exact Mass327.22
IUPAC Namedeuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccc(-c3ccccc3)nc2)CC1.[H][2H]
InChIInChI=1S/C19H24N4O.H2/c1-22-12-10-17(11-13-22)23(2)19(24)21-16-8-9-18(20-14-16)15-6-4-3-5-7-15;/h3-9,14,17H,10-13H2,1-2H3,(H,21,24);1H/i;1+1
InChIKeyUXBRNVLYMBVEDC-IEOVAKBOSA-N
XLogP3.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-6-phenylpyridine-3-carboxamide
CID 42802995
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea;molecular hydrogen
CID 157434659
CID 161056144
CID 161056144
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propylsulfonylpiperidin-4-yl)urea
CID 10138917
N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
CID 10161144
3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108895704
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 20782294
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 136571775

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea?
The IUPAC name of deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea (CID 161217615) is deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea.
What is the SMILES notation for deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea?
The canonical SMILES for deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea is CN1CCC(N(C)C(=O)Nc2ccc(-c3ccccc3)nc2)CC1.[H][2H].
What is the InChIKey of deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea?
The InChIKey is UXBRNVLYMBVEDC-IEOVAKBOSA-N. The full InChI is InChI=1S/C19H24N4O.H2/c1-22-12-10-17(11-13-22)23(2)19(24)21-16-8-9-18(20-14-16)15-6-4-3-5-7-15;/h3-9,14,17H,10-13H2,1-2H3,(H,21,24);1H/i;1+1.
What are the key properties of deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea?
deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea has a molecular weight of 327.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea is sourced from PubChem (CID 161217615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).