5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide

C13H16ClN5O — CID 114923526

IUPAC5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCc2ccnn2C)c(Cl)cn1
InChIInChI=1S/C13H16ClN5O/c1-3-15-12-6-10(11(14)8-16-12)13(20)17-7-9-4-5-18-19(9)2/h4-6,8H,3,7H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyAMBBZIBMWWITFH-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.83
Rot. Bonds5

About 5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide

5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 114923526) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID114923526
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCc2ccnn2C)c(Cl)cn1
InChIInChI=1S/C13H16ClN5O/c1-3-15-12-6-10(11(14)8-16-12)13(20)17-7-9-4-5-18-19(9)2/h4-6,8H,3,7H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyAMBBZIBMWWITFH-UHFFFAOYSA-N
XLogP1.83
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 114923933
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302246
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529
5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 114921831
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114921592
4-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19477268
5-chloro-2-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 114924532
3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 55206512
4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 82794631
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide (CID 114923526) is 5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide is CCNc1cc(C(=O)NCc2ccnn2C)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is AMBBZIBMWWITFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-3-15-12-6-10(11(14)8-16-12)13(20)17-7-9-4-5-18-19(9)2/h4-6,8H,3,7H2,1-2H3,(H,15,16)(H,17,20).
What are the key properties of 5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114923526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).