N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide

C19H22ClN3O3 — CID 3231047

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C19H22ClN3O3/c1-19(2,3)22-17(24)12-23(14-7-5-6-8-15(14)26-4)18(25)13-9-10-16(20)21-11-13/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyDFCKUFAFPYISOH-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 3231047) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID3231047
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C19H22ClN3O3/c1-19(2,3)22-17(24)12-23(14-7-5-6-8-15(14)26-4)18(25)13-9-10-16(20)21-11-13/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyDFCKUFAFPYISOH-UHFFFAOYSA-N
XLogP3.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide (CID 3231047) is N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide is COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is DFCKUFAFPYISOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-19(2,3)22-17(24)12-23(14-7-5-6-8-15(14)26-4)18(25)13-9-10-16(20)21-11-13/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-6-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 3231047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).