formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide

C23H35N3O4 — CID 155939571

IUPACformic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide
SMILESCc1cccnc1CN1C[C@@H]2[C@H](CNC(=O)CCC(C)C)[C@H]3CC[C@]2(C1)O3.O=CO
InChIInChI=1S/C22H33N3O2.CH2O2/c1-15(2)6-7-21(26)24-11-17-18-12-25(13-19-16(3)5-4-10-23-19)14-22(18)9-8-20(17)27-22;2-1-3/h4-5,10,15,17-18,20H,6-9,11-14H2,1-3H3,(H,24,26);1H,(H,2,3)/t17-,18+,20+,22+;/m0./s1
InChIKeyJULJVJWBFBAQNP-IQQQHYEFSA-N
MW417.55 g/mol
LogP2.62
Rot. Bonds7

About formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide

formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide (PubChem CID 155939571) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide.

Molecular Properties

Compound Nameformic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide
PubChem CID155939571
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC Nameformic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide
SMILESCc1cccnc1CN1C[C@@H]2[C@H](CNC(=O)CCC(C)C)[C@H]3CC[C@]2(C1)O3.O=CO
InChIInChI=1S/C22H33N3O2.CH2O2/c1-15(2)6-7-21(26)24-11-17-18-12-25(13-19-16(3)5-4-10-23-19)14-22(18)9-8-20(17)27-22;2-1-3/h4-5,10,15,17-18,20H,6-9,11-14H2,1-3H3,(H,24,26);1H,(H,2,3)/t17-,18+,20+,22+;/m0./s1
InChIKeyJULJVJWBFBAQNP-IQQQHYEFSA-N
XLogP2.62
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-[(3,4-dimethoxy-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide;formic acid
CID 171712304
N-[[(1S,5S,6R,7R)-3-benzyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-methylsulfanylacetamide;formic acid
CID 155939415
3-ethoxy-N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
CID 155507751
formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
CID 163334516
3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide
CID 154820693
N-[[(1S,5S,6R,7R)-3-(cyclobutylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(4-methylphenyl)propanamide;formic acid
CID 155940343
3-fluoro-N-[[(1S,5S,6R,7R)-3-(3-methylbutyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-4-carboxamide;formic acid
CID 155937894
formic acid;N-[[(1S,5S,6R,7R)-3-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(2-methylphenyl)acetamide
CID 171712847
N-[[(1S,5S,6R,7R)-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]hept-5-enamide
CID 171150724
2-[(1S,5S,6R,7R)-6-[[3-(3-fluorophenyl)propanoylamino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]acetic acid;formic acid
CID 155940485
formic acid;2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 155940902
2-[(1S,5S,6R,7R)-6-[[3-(4-methylphenyl)propanoylamino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]acetic acid
CID 155497788

Frequently Asked Questions

What is the IUPAC name of formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide?
The IUPAC name of formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide (CID 155939571) is formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide.
What is the SMILES notation for formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide?
The canonical SMILES for formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide is Cc1cccnc1CN1C[C@@H]2[C@H](CNC(=O)CCC(C)C)[C@H]3CC[C@]2(C1)O3.O=CO.
What is the InChIKey of formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide?
The InChIKey is JULJVJWBFBAQNP-IQQQHYEFSA-N. The full InChI is InChI=1S/C22H33N3O2.CH2O2/c1-15(2)6-7-21(26)24-11-17-18-12-25(13-19-16(3)5-4-10-23-19)14-22(18)9-8-20(17)27-22;2-1-3/h4-5,10,15,17-18,20H,6-9,11-14H2,1-3H3,(H,24,26);1H,(H,2,3)/t17-,18+,20+,22+;/m0./s1.
What are the key properties of formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide?
formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide has a molecular weight of 417.55 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide is sourced from PubChem (CID 155939571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).