1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea

C16H18N4O — CID 95146009

IUPAC1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCc2ccccc2N1)Nc1ccccn1
InChIInChI=1S/C16H18N4O/c21-16(20-15-7-3-4-10-17-15)18-11-13-9-8-12-5-1-2-6-14(12)19-13/h1-7,10,13,19H,8-9,11H2,(H2,17,18,20,21)/t13-/m0/s1
InChIKeyCRNCTCFWNIIVRE-ZDUSSCGKSA-N
MW282.35 g/mol
LogP2.63
Rot. Bonds3

About 1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea

1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea (PubChem CID 95146009) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea
PubChem CID95146009
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1CCc2ccccc2N1)Nc1ccccn1
InChIInChI=1S/C16H18N4O/c21-16(20-15-7-3-4-10-17-15)18-11-13-9-8-12-5-1-2-6-14(12)19-13/h1-7,10,13,19H,8-9,11H2,(H2,17,18,20,21)/t13-/m0/s1
InChIKeyCRNCTCFWNIIVRE-ZDUSSCGKSA-N
XLogP2.63
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 46208985
1-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 70886973
1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea
CID 117235346
(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
CID 143997720
1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 46208984
[4-(1,2,3,4-tetrahydroquinolin-2-ylmethylcarbamoylamino)indazol-1-yl] acetate
CID 174566877
1,1-dichloro-3-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-one
CID 54269728
1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
CID 51105726
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97033036
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea?
The IUPAC name of 1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea (CID 95146009) is 1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea.
What is the SMILES notation for 1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea?
The canonical SMILES for 1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea is O=C(NC[C@@H]1CCc2ccccc2N1)Nc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea?
The InChIKey is CRNCTCFWNIIVRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(20-15-7-3-4-10-17-15)18-11-13-9-8-12-5-1-2-6-14(12)19-13/h1-7,10,13,19H,8-9,11H2,(H2,17,18,20,21)/t13-/m0/s1.
What are the key properties of 1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea?
1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea has a molecular weight of 282.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea is sourced from PubChem (CID 95146009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).