1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea

C17H28N4O2 — CID 111426710

IUPAC1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
SMILESCN(C)c1cc(CNC(=O)NCC2(O)CCCCCC2)ccn1
InChIInChI=1S/C17H28N4O2/c1-21(2)15-11-14(7-10-18-15)12-19-16(22)20-13-17(23)8-5-3-4-6-9-17/h7,10-11,23H,3-6,8-9,12-13H2,1-2H3,(H2,19,20,22)
InChIKeyVWRKQJDIDWXESE-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.03
Rot. Bonds5

About 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea (PubChem CID 111426710) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
PubChem CID111426710
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
SMILESCN(C)c1cc(CNC(=O)NCC2(O)CCCCCC2)ccn1
InChIInChI=1S/C17H28N4O2/c1-21(2)15-11-14(7-10-18-15)12-19-16(22)20-13-17(23)8-5-3-4-6-9-17/h7,10-11,23H,3-6,8-9,12-13H2,1-2H3,(H2,19,20,22)
InChIKeyVWRKQJDIDWXESE-UHFFFAOYSA-N
XLogP2.03
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97022306
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97022307
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 51082981
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 55743895
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[(3S)-1,1-dioxothiolan-3-yl]methyl]urea
CID 94149449
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 86870775
1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936304
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 75518588
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95132243

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea (CID 111426710) is 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea is CN(C)c1cc(CNC(=O)NCC2(O)CCCCCC2)ccn1.
What is the InChIKey of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea?
The InChIKey is VWRKQJDIDWXESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-21(2)15-11-14(7-10-18-15)12-19-16(22)20-13-17(23)8-5-3-4-6-9-17/h7,10-11,23H,3-6,8-9,12-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea?
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea has a molecular weight of 320.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea is sourced from PubChem (CID 111426710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).