1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea

C18H22N4O — CID 97337891

IUPAC1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea
SMILESCc1cccc(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1
InChIInChI=1S/C18H22N4O/c1-12-4-3-5-17(19-12)20-13(2)14-6-8-15(9-7-14)21-18(23)22-16-10-11-16/h3-9,13,16H,10-11H2,1-2H3,(H,19,20)(H2,21,22,23)/t13-/m1/s1
InChIKeyNGLZCBPMIUBSKM-CYBMUJFWSA-N
MW310.40 g/mol
LogP3.85
Rot. Bonds5

About 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea

1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea (PubChem CID 97337891) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea
PubChem CID97337891
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea
SMILESCc1cccc(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1
InChIInChI=1S/C18H22N4O/c1-12-4-3-5-17(19-12)20-13(2)14-6-8-15(9-7-14)21-18(23)22-16-10-11-16/h3-9,13,16H,10-11H2,1-2H3,(H,19,20)(H2,21,22,23)/t13-/m1/s1
InChIKeyNGLZCBPMIUBSKM-CYBMUJFWSA-N
XLogP3.85
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339471
1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea
CID 133317283
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine
CID 60870792
1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea
CID 97232042
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 61340940
1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
CID 113041212
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide
CID 129359325

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea (CID 97337891) is 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea is Cc1cccc(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)n1.
What is the InChIKey of 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea?
The InChIKey is NGLZCBPMIUBSKM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-4-3-5-17(19-12)20-13(2)14-6-8-15(9-7-14)21-18(23)22-16-10-11-16/h3-9,13,16H,10-11H2,1-2H3,(H,19,20)(H2,21,22,23)/t13-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea?
1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea has a molecular weight of 310.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[(1R)-1-[(6-methyl-2-pyridinyl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 97337891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).