3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide

C14H22ClN3O2 — CID 62179080

IUPAC3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)N(C)C(C)COC)n1
InChIInChI=1S/C14H22ClN3O2/c1-5-8-16-12-7-6-11(15)13(17-12)14(19)18(3)10(2)9-20-4/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
InChIKeySNWJJIXIYAGVMB-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.66
Rot. Bonds7

About 3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide

3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62179080) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
PubChem CID62179080
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)N(C)C(C)COC)n1
InChIInChI=1S/C14H22ClN3O2/c1-5-8-16-12-7-6-11(15)13(17-12)14(19)18(3)10(2)9-20-4/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
InChIKeySNWJJIXIYAGVMB-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62179763
3-chloro-N-ethyl-6-(ethylamino)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 62179595
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
CID 62177024
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129
3-chloro-N-methyl-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 55046771
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)pyridine-2-carboxamide
CID 104640516
N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 62180165
3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 107485986
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
CID 62171311

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide (CID 62179080) is 3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)N(C)C(C)COC)n1.
What is the InChIKey of 3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is SNWJJIXIYAGVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-5-8-16-12-7-6-11(15)13(17-12)14(19)18(3)10(2)9-20-4/h6-7,10H,5,8-9H2,1-4H3,(H,16,17).
What are the key properties of 3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62179080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).