5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide

C12H16ClN3O2 — CID 114120797

IUPAC5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC2CC(OC)C2)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-14-11-10(13)3-7(6-15-11)12(17)16-8-4-9(5-8)18-2/h3,6,8-9H,4-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDHDSIRKVKIUECJ-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.68
Rot. Bonds4

About 5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 114120797) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID114120797
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC2CC(OC)C2)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-14-11-10(13)3-7(6-15-11)12(17)16-8-4-9(5-8)18-2/h3,6,8-9H,4-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDHDSIRKVKIUECJ-UHFFFAOYSA-N
XLogP1.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloroanilino)-N-(oxan-4-yl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570122
5-Chloro-N-[1-(4-chloro-benzyl)-piperidin-4-yl]-2-cyclobutylamino-nicotinamide
CID 44403486
N-(3-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 118712287
N-(2-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 118712288
N-(4-chlorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 118712289
US10023562, Example 120
CID 90155170
N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 43077690
5-Chloro-6-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 47059451
[5-Chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 51091028
[5-Chloro-6-[2-(oxolan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 53520825
6-[[2-(Benzylamino)-2-oxoethyl]amino]-5-chloropyridine-3-carboxamide
CID 56797221
[5-Chloro-6-[2-(oxolan-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 71937326

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide (CID 114120797) is 5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide is CNc1ncc(C(=O)NC2CC(OC)C2)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is DHDSIRKVKIUECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-14-11-10(13)3-7(6-15-11)12(17)16-8-4-9(5-8)18-2/h3,6,8-9H,4-5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 114120797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).