2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H29N5O — CID 56913021

IUPAC2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)CC1C(=O)NCCCNc1cccnc1
InChIInChI=1S/C18H29N5O/c1-23-14-18(5-10-19-11-6-18)12-16(23)17(24)22-9-3-8-21-15-4-2-7-20-13-15/h2,4,7,13,16,19,21H,3,5-6,8-12,14H2,1H3,(H,22,24)
InChIKeyRVQPKPIWARRZMA-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.07
Rot. Bonds6

About 2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56913021) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56913021
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)CC1C(=O)NCCCNc1cccnc1
InChIInChI=1S/C18H29N5O/c1-23-14-18(5-10-19-11-6-18)12-16(23)17(24)22-9-3-8-21-15-4-2-7-20-13-15/h2,4,7,13,16,19,21H,3,5-6,8-12,14H2,1H3,(H,22,24)
InChIKeyRVQPKPIWARRZMA-UHFFFAOYSA-N
XLogP1.07
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
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CID 168177312
5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177329
N-{2-methyl-1-[(pyridin-4-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3240382
(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
(2S)-1-methyl-N-[(1S)-1-[4-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]phenyl]ethyl]pyrrolidine-2-carboxamide
CID 145964467
4-tert-butyl-N-3-pyridinylcyclohexanecarboxamide
CID 1246184
3-phenyl-N-(1-phenylethyl)-2-(1H-pyrrol-1-yl)propanamide
CID 6622999
4-methyl-N-{3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]butan-2-yl}cyclohexanecarboxamide
CID 4058679
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
CID 9798937
[4-(2-Phenylamino-acetyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile
CID 9997078
(S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)-3-methyl-N-(2-(pyridin-2-yl)ethyl)butanamide
CID 44418232

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56913021) is 2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CN1CC2(CCNCC2)CC1C(=O)NCCCNc1cccnc1.
What is the InChIKey of 2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is RVQPKPIWARRZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-23-14-18(5-10-19-11-6-18)12-16(23)17(24)22-9-3-8-21-15-4-2-7-20-13-15/h2,4,7,13,16,19,21H,3,5-6,8-12,14H2,1H3,(H,22,24).
What are the key properties of 2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(pyridin-3-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56913021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).