5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide

C17H14ClN5O2 — CID 59151640

IUPAC5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C17H14ClN5O2/c18-12-7-14(17(20)24)16(19)23(10-12)9-11-1-3-13(4-2-11)25-15-8-21-5-6-22-15/h1-8,10,19H,9H2,(H2,20,24)/b19-16-
InChIKeyBKUWEJXODRTZRJ-MNDPQUGUSA-N
MW355.79 g/mol
LogP2.35
Rot. Bonds5

About 5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide

5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 59151640) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID59151640
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C17H14ClN5O2/c18-12-7-14(17(20)24)16(19)23(10-12)9-11-1-3-13(4-2-11)25-15-8-21-5-6-22-15/h1-8,10,19H,9H2,(H2,20,24)/b19-16-
InChIKeyBKUWEJXODRTZRJ-MNDPQUGUSA-N
XLogP2.35
TPSA106.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide (CID 59151640) is 5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(Oc2cnccn2)cc1.
What is the InChIKey of 5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is BKUWEJXODRTZRJ-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c18-12-7-14(17(20)24)16(19)23(10-12)9-11-1-3-13(4-2-11)25-15-8-21-5-6-22-15/h1-8,10,19H,9H2,(H2,20,24)/b19-16-.
What are the key properties of 5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 355.79 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-imino-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59151640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).