5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide

C16H22ClN3O2 — CID 99700115

IUPAC5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide
SMILESCCO[C@H]1C[C@@H](N(C)c2ncc(C(N)=O)cc2Cl)C12CCC2
InChIInChI=1S/C16H22ClN3O2/c1-3-22-13-8-12(16(13)5-4-6-16)20(2)15-11(17)7-10(9-19-15)14(18)21/h7,9,12-13H,3-6,8H2,1-2H3,(H2,18,21)/t12-,13+/m1/s1
InChIKeyGUCBOVYLRZWSSJ-OLZOCXBDSA-N
MW323.82 g/mol
LogP2.62
Rot. Bonds5

About 5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide

5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide (PubChem CID 99700115) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide
PubChem CID99700115
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide
SMILESCCO[C@H]1C[C@@H](N(C)c2ncc(C(N)=O)cc2Cl)C12CCC2
InChIInChI=1S/C16H22ClN3O2/c1-3-22-13-8-12(16(13)5-4-6-16)20(2)15-11(17)7-10(9-19-15)14(18)21/h7,9,12-13H,3-6,8H2,1-2H3,(H2,18,21)/t12-,13+/m1/s1
InChIKeyGUCBOVYLRZWSSJ-OLZOCXBDSA-N
XLogP2.62
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carboxamide
CID 133356557
3-chloro-2-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-N-methylpyridine-2,5-dicarboxamide
CID 97100622
5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide
CID 75418381
3-chloro-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-5-nitropyridin-2-amine
CID 99810442
4,5-dichloro-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-1H-pyrrole-2-carboxamide
CID 99810417
5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide
CID 95782529
N-(3-ethoxyspiro[3.5]nonan-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 133356876
6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide
CID 133341301
2-(1,3-dioxan-2-yl)-N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-N-methylacetamide
CID 124740197
4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide
CID 124683871
N-(3-ethoxyspiro[3.3]heptan-1-yl)-N-methyl-2-(methylamino)acetamide
CID 120705060
N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-hydroxy-N-methyl-4-nitrobenzamide
CID 99714449

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide (CID 99700115) is 5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide is CCO[C@H]1C[C@@H](N(C)c2ncc(C(N)=O)cc2Cl)C12CCC2.
What is the InChIKey of 5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide?
The InChIKey is GUCBOVYLRZWSSJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-3-22-13-8-12(16(13)5-4-6-16)20(2)15-11(17)7-10(9-19-15)14(18)21/h7,9,12-13H,3-6,8H2,1-2H3,(H2,18,21)/t12-,13+/m1/s1.
What are the key properties of 5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide?
5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 99700115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).