1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea

C19H14ClN5O — CID 168979702

IUPAC1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea
SMILESNc1cnc(Cl)cc1NC(=O)Nc1ccnc(C#Cc2ccccc2)c1
InChIInChI=1S/C19H14ClN5O/c20-18-11-17(16(21)12-23-18)25-19(26)24-15-8-9-22-14(10-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H,21H2,(H2,22,23,24,25,26)
InChIKeyJYOUSKTWSZTORU-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.76
Rot. Bonds2

About 1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea

1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea (PubChem CID 168979702) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea.

Molecular Properties

Compound Name1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea
PubChem CID168979702
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea
SMILESNc1cnc(Cl)cc1NC(=O)Nc1ccnc(C#Cc2ccccc2)c1
InChIInChI=1S/C19H14ClN5O/c20-18-11-17(16(21)12-23-18)25-19(26)24-15-8-9-22-14(10-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H,21H2,(H2,22,23,24,25,26)
InChIKeyJYOUSKTWSZTORU-UHFFFAOYSA-N
XLogP3.76
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(5-amino-2-chloro-4-pyridinyl)carbamoylamino]-N-(3-cyclobutylcyclobutyl)pyridine-2-carboxamide
CID 168979718
1-(3-amino-4-pyridinyl)-3-phenylurea
CID 63061923
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760
N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide
CID 145287948
methyl 2-(2-phenylethynyl)pyridine-4-carboxylate
CID 22097571
1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(2-fluorophenyl)urea
CID 11739499
1-(2-amino-5-chlorophenyl)-3-(3-cyanophenyl)urea
CID 43245874
N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide
CID 113253382
5-[2-(3-aminophenyl)ethynyl]pyrimidine-4,6-diamine;1-[3-[2-(4,6-diaminopyrimidin-5-yl)ethynyl]phenyl]-3-phenylurea
CID 69371953
1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
CID 150183067
1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
CID 150071160
1-(3,4-dichlorophenyl)-3-[2-(5-phenylpenta-2,4-diynylamino)phenyl]urea
CID 5215359

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea?
The IUPAC name of 1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea (CID 168979702) is 1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea.
What is the SMILES notation for 1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea?
The canonical SMILES for 1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea is Nc1cnc(Cl)cc1NC(=O)Nc1ccnc(C#Cc2ccccc2)c1.
What is the InChIKey of 1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea?
The InChIKey is JYOUSKTWSZTORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-18-11-17(16(21)12-23-18)25-19(26)24-15-8-9-22-14(10-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H,21H2,(H2,22,23,24,25,26).
What are the key properties of 1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea?
1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea has a molecular weight of 363.81 g/mol, XLogP of 3.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea is sourced from PubChem (CID 168979702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).