8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H26N4O3 — CID 56884605

IUPAC8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3ncccc3C(N)=O)CC2)CC1C(=O)O
InChIInChI=1S/C18H26N4O3/c1-2-8-22-12-18(11-14(22)17(24)25)5-9-21(10-6-18)16-13(15(19)23)4-3-7-20-16/h3-4,7,14H,2,5-6,8-12H2,1H3,(H2,19,23)(H,24,25)
InChIKeyDCUBANQENCRIKX-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.34
Rot. Bonds5

About 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56884605) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56884605
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(c3ncccc3C(N)=O)CC2)CC1C(=O)O
InChIInChI=1S/C18H26N4O3/c1-2-8-22-12-18(11-14(22)17(24)25)5-9-21(10-6-18)16-13(15(19)23)4-3-7-20-16/h3-4,7,14H,2,5-6,8-12H2,1H3,(H2,19,23)(H,24,25)
InChIKeyDCUBANQENCRIKX-UHFFFAOYSA-N
XLogP1.34
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

(3S)-8-(3-methylpyrazin-2-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95870202
(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95880584
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
(3R)-8-(5,6-dimethylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95726472
2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid
CID 95894173
8-(3-phenylpropyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56910285
(3R)-2-propyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897333
8-(2-methylpyrimidine-5-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56903968
(3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897636
(3R)-8-acetyl-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95875140
8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70725662
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498

Frequently Asked Questions

What is the IUPAC name of 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56884605) is 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(c3ncccc3C(N)=O)CC2)CC1C(=O)O.
What is the InChIKey of 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is DCUBANQENCRIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-2-8-22-12-18(11-14(22)17(24)25)5-9-21(10-6-18)16-13(15(19)23)4-3-7-20-16/h3-4,7,14H,2,5-6,8-12H2,1H3,(H2,19,23)(H,24,25).
What are the key properties of 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56884605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).