5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide

C13H21ClN4O — CID 114923600

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CCN(C)C)c(Cl)cn1
InChIInChI=1S/C13H21ClN4O/c1-5-15-12-8-10(11(14)9-16-12)13(19)18(4)7-6-17(2)3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyXTFFDPLUQKFODQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.80
Rot. Bonds6

About 5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide

5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide (PubChem CID 114923600) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
PubChem CID114923600
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CCN(C)C)c(Cl)cn1
InChIInChI=1S/C13H21ClN4O/c1-5-15-12-8-10(11(14)9-16-12)13(19)18(4)7-6-17(2)3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyXTFFDPLUQKFODQ-UHFFFAOYSA-N
XLogP1.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827
5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 114922484
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114922104
5-chloro-2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 114922169
5-chloro-N-cyclopentyl-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114922154
5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 114923905
5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 114922724
5-chloro-2-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114922760
5-chloro-2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 114924010
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922532
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide (CID 114923600) is 5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide is CCNc1cc(C(=O)N(C)CCN(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide?
The InChIKey is XTFFDPLUQKFODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-5-15-12-8-10(11(14)9-16-12)13(19)18(4)7-6-17(2)3/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide?
5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 114923600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).