5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide

C14H14ClN3O — CID 59151542

IUPAC5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1CCc1ccccc1
InChIInChI=1S/C14H14ClN3O/c15-11-8-12(14(17)19)13(16)18(9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H2,17,19)/b16-13-
InChIKeyIKEPFJUGTDZPQK-SSZFMOIBSA-N
MW275.74 g/mol
LogP1.96
Rot. Bonds4

About 5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide

5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 59151542) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID59151542
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1CCc1ccccc1
InChIInChI=1S/C14H14ClN3O/c15-11-8-12(14(17)19)13(16)18(9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H2,17,19)/b16-13-
InChIKeyIKEPFJUGTDZPQK-SSZFMOIBSA-N
XLogP1.96
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide (CID 59151542) is 5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1CCc1ccccc1.
What is the InChIKey of 5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is IKEPFJUGTDZPQK-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-11-8-12(14(17)19)13(16)18(9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H2,17,19)/b16-13-.
What are the key properties of 5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide?
5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59151542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).