3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide

C14H18ClN5O — CID 62187265

IUPAC3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)Nc2ccnn2C(C)C)n1
InChIInChI=1S/C14H18ClN5O/c1-4-16-11-6-5-10(15)13(18-11)14(21)19-12-7-8-17-20(12)9(2)3/h5-9H,4H2,1-3H3,(H,16,18)(H,19,21)
InChIKeyHYEKSUNIYWFHDO-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.20
Rot. Bonds5

About 3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide

3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 62187265) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID62187265
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)Nc2ccnn2C(C)C)n1
InChIInChI=1S/C14H18ClN5O/c1-4-16-11-6-5-10(15)13(18-11)14(21)19-12-7-8-17-20(12)9(2)3/h5-9H,4H2,1-3H3,(H,16,18)(H,19,21)
InChIKeyHYEKSUNIYWFHDO-UHFFFAOYSA-N
XLogP3.20
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide (CID 62187265) is 3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)Nc2ccnn2C(C)C)n1.
What is the InChIKey of 3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is HYEKSUNIYWFHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-4-16-11-6-5-10(15)13(18-11)14(21)19-12-7-8-17-20(12)9(2)3/h5-9H,4H2,1-3H3,(H,16,18)(H,19,21).
What are the key properties of 3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide?
3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 307.79 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62187265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).