N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide

C15H15ClN4O2 — CID 118712288

IUPACN-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C15H15ClN4O2/c1-2-17-15(22)20-13-8-7-10(9-18-13)14(21)19-12-6-4-3-5-11(12)16/h3-9H,2H2,1H3,(H,19,21)(H2,17,18,20,22)
InChIKeyIIJHCHYQNVNNIF-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.13
Rot. Bonds4

About N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide

N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide (PubChem CID 118712288) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
PubChem CID118712288
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C15H15ClN4O2/c1-2-17-15(22)20-13-8-7-10(9-18-13)14(21)19-12-6-4-3-5-11(12)16/h3-9H,2H2,1H3,(H,19,21)(H2,17,18,20,22)
InChIKeyIIJHCHYQNVNNIF-UHFFFAOYSA-N
XLogP3.13
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide (CID 118712288) is N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide is CCNC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
The InChIKey is IIJHCHYQNVNNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-2-17-15(22)20-13-8-7-10(9-18-13)14(21)19-12-6-4-3-5-11(12)16/h3-9H,2H2,1H3,(H,19,21)(H2,17,18,20,22).
What are the key properties of N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide?
N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118712288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).