(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide

C19H18ClN3O2 — CID 97492548

IUPAC(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H18ClN3O2/c20-14-5-3-13(4-6-14)18(25)23-9-7-19(12-23)10-16(19)17(24)22-15-2-1-8-21-11-15/h1-6,8,11,16H,7,9-10,12H2,(H,22,24)/t16-,19-/m1/s1
InChIKeyUDRHROVZNGFYHJ-VQIMIIECSA-N
MW355.82 g/mol
LogP3.23
Rot. Bonds3

About (2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide

(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97492548) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.82 g/mol. Its IUPAC name is (2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID97492548
Molecular FormulaC19H18ClN3O2
Molecular Weight355.82 g/mol
Exact Mass355.11
IUPAC Name(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H18ClN3O2/c20-14-5-3-13(4-6-14)18(25)23-9-7-19(12-23)10-16(19)17(24)22-15-2-1-8-21-11-15/h1-6,8,11,16H,7,9-10,12H2,(H,22,24)/t16-,19-/m1/s1
InChIKeyUDRHROVZNGFYHJ-VQIMIIECSA-N
XLogP3.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-5-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492682
(2R,3S)-5-N,5-N-dimethyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97396660
(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492595
(2S,3S)-5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492534
5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646111
5-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131638456
(2S,3S)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492569
(2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492570
(2S,3R)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492920
(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492919
5-(4-chlorobenzoyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131662437
2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155872032

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide (CID 97492548) is (2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide is O=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of (2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is UDRHROVZNGFYHJ-VQIMIIECSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-14-5-3-13(4-6-14)18(25)23-9-7-19(12-23)10-16(19)17(24)22-15-2-1-8-21-11-15/h1-6,8,11,16H,7,9-10,12H2,(H,22,24)/t16-,19-/m1/s1.
What are the key properties of (2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 355.82 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97492548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).