(5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide

C21H29N3O2 — CID 155875455

IUPAC(5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCCc1ccc(C(=O)N2CC[C@@]3(CCC[C@@H]3C(=O)NCC3CC3)C2)cn1
InChIInChI=1S/C21H29N3O2/c1-2-17-8-7-16(13-22-17)20(26)24-11-10-21(14-24)9-3-4-18(21)19(25)23-12-15-5-6-15/h7-8,13,15,18H,2-6,9-12,14H2,1H3,(H,23,25)/t18-,21+/m1/s1
InChIKeyBFJXWUOPWDKMNQ-NQIIRXRSSA-N
MW355.48 g/mol
LogP2.80
Rot. Bonds5

About (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide

(5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 155875455) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID155875455
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCCc1ccc(C(=O)N2CC[C@@]3(CCC[C@@H]3C(=O)NCC3CC3)C2)cn1
InChIInChI=1S/C21H29N3O2/c1-2-17-8-7-16(13-22-17)20(26)24-11-10-21(14-24)9-3-4-18(21)19(25)23-12-15-5-6-15/h7-8,13,15,18H,2-6,9-12,14H2,1H3,(H,23,25)/t18-,21+/m1/s1
InChIKeyBFJXWUOPWDKMNQ-NQIIRXRSSA-N
XLogP2.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134070357
(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
(5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896792
(6-amino-3-pyridinyl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164699317
(6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131681940
N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide
CID 154579514
N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881364
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895593
(5S,9S)-2-(furan-2-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896788
N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579548
N-(cyclopropylmethyl)-2-(furan-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131649912

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide (CID 155875455) is (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide is CCc1ccc(C(=O)N2CC[C@@]3(CCC[C@@H]3C(=O)NCC3CC3)C2)cn1.
What is the InChIKey of (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is BFJXWUOPWDKMNQ-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-17-8-7-16(13-22-17)20(26)24-11-10-21(14-24)9-3-4-18(21)19(25)23-12-15-5-6-15/h7-8,13,15,18H,2-6,9-12,14H2,1H3,(H,23,25)/t18-,21+/m1/s1.
What are the key properties of (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
(5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 155875455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).