5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide

C14H22ClN3O — CID 114923804

IUPAC5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCC(C)C(C)C)c(Cl)cn1
InChIInChI=1S/C14H22ClN3O/c1-5-16-13-6-11(12(15)8-17-13)14(19)18-7-10(4)9(2)3/h6,8-10H,5,7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMJRCLVXROSTPLQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.19
Rot. Bonds6

About 5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide

5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide (PubChem CID 114923804) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
PubChem CID114923804
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCC(C)C(C)C)c(Cl)cn1
InChIInChI=1S/C14H22ClN3O/c1-5-16-13-6-11(12(15)8-17-13)14(19)18-7-10(4)9(2)3/h6,8-10H,5,7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyMJRCLVXROSTPLQ-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827
5-chloro-2-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 114924532
5-chloro-2-(ethylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 114923146
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 114922691
5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 114921831
5-chloro-N-(dicyclopropylmethyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923170
5-chloro-2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 114922169
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 114923933

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide (CID 114923804) is 5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)NCC(C)C(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide?
The InChIKey is MJRCLVXROSTPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-5-16-13-6-11(12(15)8-17-13)14(19)18-7-10(4)9(2)3/h6,8-10H,5,7H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide?
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).