N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide

C20H29N3O2 — CID 98897720

IUPACN-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
SMILESCc1cccnc1CN1CCC2(CC1)C[C@H](NC(=O)C1CC1)CCO2
InChIInChI=1S/C20H29N3O2/c1-15-3-2-9-21-18(15)14-23-10-7-20(8-11-23)13-17(6-12-25-20)22-19(24)16-4-5-16/h2-3,9,16-17H,4-8,10-14H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyJLDOYHPMFAIJPP-QGZVFWFLSA-N
MW343.47 g/mol
LogP2.43
Rot. Bonds4

About N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide

N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide (PubChem CID 98897720) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
PubChem CID98897720
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
SMILESCc1cccnc1CN1CCC2(CC1)C[C@H](NC(=O)C1CC1)CCO2
InChIInChI=1S/C20H29N3O2/c1-15-3-2-9-21-18(15)14-23-10-7-20(8-11-23)13-17(6-12-25-20)22-19(24)16-4-5-16/h2-3,9,16-17H,4-8,10-14H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyJLDOYHPMFAIJPP-QGZVFWFLSA-N
XLogP2.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155853896
N-[(4S)-9-[(4-cyanophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 98897002
1,1-dimethyl-3-[(4S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 98897243
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112550214
3-[9-[(2-chlorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,1-dimethylurea
CID 131661376
N-[(3-methyl-2-pyridinyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903039
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 131680205
3-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,1-dimethylurea
CID 131648359
1,1-dimethyl-3-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
CID 133141286
N-[(5S,9S)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]benzamide
CID 124780353

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide (CID 98897720) is N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide is Cc1cccnc1CN1CCC2(CC1)C[C@H](NC(=O)C1CC1)CCO2.
What is the InChIKey of N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide?
The InChIKey is JLDOYHPMFAIJPP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-3-2-9-21-18(15)14-23-10-7-20(8-11-23)13-17(6-12-25-20)22-19(24)16-4-5-16/h2-3,9,16-17H,4-8,10-14H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide?
N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 98897720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).