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

C15H16ClN3O — CID 59151651

IUPAC5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1CCCc1ccccc1
InChIInChI=1S/C15H16ClN3O/c16-12-9-13(15(18)20)14(17)19(10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2,(H2,18,20)/b17-14-
InChIKeyJKYNEQADZCMBDB-VKAVYKQESA-N
MW289.77 g/mol
LogP2.35
Rot. Bonds5

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

5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 59151651) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID59151651
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1CCCc1ccccc1
InChIInChI=1S/C15H16ClN3O/c16-12-9-13(15(18)20)14(17)19(10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2,(H2,18,20)/b17-14-
InChIKeyJKYNEQADZCMBDB-VKAVYKQESA-N
XLogP2.35
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.35
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-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide (CID 59151651) is 5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1CCCc1ccccc1.
What is the InChIKey of 5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is JKYNEQADZCMBDB-VKAVYKQESA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-9-13(15(18)20)14(17)19(10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,17H,4,7-8H2,(H2,18,20)/b17-14-.
What are the key properties of 5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide?
5-chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.35, 5 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-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 59151651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).