3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide

C18H16ClN5O2 — CID 127047647

IUPAC3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide
SMILESCCc1cnc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)nc1
InChIInChI=1S/C18H16ClN5O2/c1-2-11-9-22-18(23-10-11)26-15-6-5-12(8-13(15)19)24-17(25)16-14(20)4-3-7-21-16/h3-10H,2,20H2,1H3,(H,24,25)
InChIKeyPPXUWNRZEJBIOV-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.71
Rot. Bonds5

About 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide

3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide (PubChem CID 127047647) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide
PubChem CID127047647
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide
SMILESCCc1cnc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)nc1
InChIInChI=1S/C18H16ClN5O2/c1-2-11-9-22-18(23-10-11)26-15-6-5-12(8-13(15)19)24-17(25)16-14(20)4-3-7-21-16/h3-10H,2,20H2,1H3,(H,24,25)
InChIKeyPPXUWNRZEJBIOV-UHFFFAOYSA-N
XLogP3.71
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide (CID 127047647) is 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide is CCc1cnc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)nc1.
What is the InChIKey of 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide?
The InChIKey is PPXUWNRZEJBIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-2-11-9-22-18(23-10-11)26-15-6-5-12(8-13(15)19)24-17(25)16-14(20)4-3-7-21-16/h3-10H,2,20H2,1H3,(H,24,25).
What are the key properties of 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide?
3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(5-ethylpyrimidin-2-yl)oxyphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127047647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).