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

C19H27N5O — CID 86994177

IUPAC1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
SMILESCN(C)Cc1ccc(CNC(=O)NCc2ccnc(N(C)C)c2)cc1
InChIInChI=1S/C19H27N5O/c1-23(2)14-16-7-5-15(6-8-16)12-21-19(25)22-13-17-9-10-20-18(11-17)24(3)4/h5-11H,12-14H2,1-4H3,(H2,21,22,25)
InChIKeyDQTAHJAFCBEFTP-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.21
Rot. Bonds7

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

1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea (PubChem CID 86994177) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
PubChem CID86994177
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
SMILESCN(C)Cc1ccc(CNC(=O)NCc2ccnc(N(C)C)c2)cc1
InChIInChI=1S/C19H27N5O/c1-23(2)14-16-7-5-15(6-8-16)12-21-19(25)22-13-17-9-10-20-18(11-17)24(3)4/h5-11H,12-14H2,1-4H3,(H2,21,22,25)
InChIKeyDQTAHJAFCBEFTP-UHFFFAOYSA-N
XLogP2.21
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426710
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 51082981
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 86870775
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 94179490
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-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75456076
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[(3S)-1,1-dioxothiolan-3-yl]methyl]urea
CID 94149449
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 55743895
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244873
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47043891
1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896144

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea (CID 86994177) is 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea is CN(C)Cc1ccc(CNC(=O)NCc2ccnc(N(C)C)c2)cc1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea?
The InChIKey is DQTAHJAFCBEFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23(2)14-16-7-5-15(6-8-16)12-21-19(25)22-13-17-9-10-20-18(11-17)24(3)4/h5-11H,12-14H2,1-4H3,(H2,21,22,25).
What are the key properties of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea?
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea has a molecular weight of 341.46 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 86994177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).