[6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

C20H32N4O — CID 138000280

IUPAC[6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCCCN(CC)c1ccc(C(=O)N2CC3(CCNCC3)CC2C)cn1
InChIInChI=1S/C20H32N4O/c1-4-12-23(5-2)18-7-6-17(14-22-18)19(25)24-15-20(13-16(24)3)8-10-21-11-9-20/h6-7,14,16,21H,4-5,8-13,15H2,1-3H3
InChIKeyHMEIESOBWCULKR-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.92
Rot. Bonds5

About [6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

[6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 138000280) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is [6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name[6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID138000280
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name[6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCCCN(CC)c1ccc(C(=O)N2CC3(CCNCC3)CC2C)cn1
InChIInChI=1S/C20H32N4O/c1-4-12-23(5-2)18-7-6-17(14-22-18)19(25)24-15-20(13-16(24)3)8-10-21-11-9-20/h6-7,14,16,21H,4-5,8-13,15H2,1-3H3
InChIKeyHMEIESOBWCULKR-UHFFFAOYSA-N
XLogP2.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
CID 119471683
[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
CID 119436014
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540285
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291325
1-[6-(dipropylamino)-3-pyridinyl]propan-1-one
CID 102546645
1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 48661370
(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone
CID 138004361
(2-oxo-2-pyrrolidin-1-ylethyl) 6-[ethyl(propyl)amino]pyridine-3-carboxylate
CID 86777162
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 139012669
N-[(2R)-2-(ethylamino)propyl]-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 120652365
methyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 83848926

Frequently Asked Questions

What is the IUPAC name of [6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of [6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 138000280) is [6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for [6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for [6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is CCCN(CC)c1ccc(C(=O)N2CC3(CCNCC3)CC2C)cn1.
What is the InChIKey of [6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is HMEIESOBWCULKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-4-12-23(5-2)18-7-6-17(14-22-18)19(25)24-15-20(13-16(24)3)8-10-21-11-9-20/h6-7,14,16,21H,4-5,8-13,15H2,1-3H3.
What are the key properties of [6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
[6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 344.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[ethyl(propyl)amino]-3-pyridinyl]-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 138000280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).