5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide

C16H18ClN3O — CID 114921831

IUPAC5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCc2ccccc2)c(Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-2-18-15-10-13(14(17)11-20-15)16(21)19-9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyWCLCWJNLGQQHJZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.14
Rot. Bonds6

About 5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide

5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide (PubChem CID 114921831) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
PubChem CID114921831
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCc2ccccc2)c(Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-2-18-15-10-13(14(17)11-20-15)16(21)19-9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyWCLCWJNLGQQHJZ-UHFFFAOYSA-N
XLogP3.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114921592
5-chloro-2-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 114924532
5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106050087
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide
CID 114924749
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677
5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114923893
5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 114923933
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 114922684

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide (CID 114921831) is 5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NCCc2ccccc2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide?
The InChIKey is WCLCWJNLGQQHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-18-15-10-13(14(17)11-20-15)16(21)19-9-8-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114921831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).