2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde

C32H51N7O3 — CID 166139695

IUPAC2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde
SMILESC1CCNCC1.CC1CCCN1.COc1ccc(C)cn1.Cn1ncc2cc(CNC=O)ccc21.O=CN1CCCC1
InChIInChI=1S/C10H11N3O.C7H9NO.C5H9NO.2C5H11N/c1-13-10-3-2-8(5-11-7-14)4-9(10)6-12-13;1-6-3-4-7(9-2)8-5-6;7-5-6-3-1-2-4-6;1-5-3-2-4-6-5;1-2-4-6-5-3-1/h2-4,6-7H,5H2,1H3,(H,11,14);3-5H,1-2H3;5H,1-4H2;5-6H,2-4H2,1H3;6H,1-5H2
InChIKeyDRKWFMPYDVFBTF-UHFFFAOYSA-N
MW581.81 g/mol
LogP3.97
Rot. Bonds5

About 2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde

2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde (PubChem CID 166139695) has the molecular formula C32H51N7O3 and a molecular weight of 581.81 g/mol. Its IUPAC name is 2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde
PubChem CID166139695
Molecular FormulaC32H51N7O3
Molecular Weight581.81 g/mol
Exact Mass581.41
IUPAC Name2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde
SMILESC1CCNCC1.CC1CCCN1.COc1ccc(C)cn1.Cn1ncc2cc(CNC=O)ccc21.O=CN1CCCC1
InChIInChI=1S/C10H11N3O.C7H9NO.C5H9NO.2C5H11N/c1-13-10-3-2-8(5-11-7-14)4-9(10)6-12-13;1-6-3-4-7(9-2)8-5-6;7-5-6-3-1-2-4-6;1-5-3-2-4-6-5;1-2-4-6-5-3-1/h2-4,6-7H,5H2,1H3,(H,11,14);3-5H,1-2H3;5H,1-4H2;5-6H,2-4H2,1H3;6H,1-5H2
InChIKeyDRKWFMPYDVFBTF-UHFFFAOYSA-N
XLogP3.97
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.81
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanamine;N-[(1-methylindazol-5-yl)methyl]formamide
CID 170613167
(2S,4R)-N-[(1-methylindazol-5-yl)methyl]-4-(4-methylphenoxy)-1-[(2R,3S)-3-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 166139857
4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide
CID 169029465
N-methyl-1-(1-methylindazol-5-yl)methanamine
CID 82598913
2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539308
1-hydroxy-N-[(1-methylindazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 166139569
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
1-(azepan-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
CID 79560021
N-[(6-methylnaphthalen-2-yl)methyl]piperidin-3-amine
CID 115118209
2-methoxy-5-[(3R)-piperidin-3-yl]pyridine
CID 93478601
7-(1-methylindazol-5-yl)-2-azaspiro[3.5]nonane-2-carbaldehyde
CID 169002472
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176781033

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde (CID 166139695) is 2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde is C1CCNCC1.CC1CCCN1.COc1ccc(C)cn1.Cn1ncc2cc(CNC=O)ccc21.O=CN1CCCC1.
What is the InChIKey of 2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde?
The InChIKey is DRKWFMPYDVFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C7H9NO.C5H9NO.2C5H11N/c1-13-10-3-2-8(5-11-7-14)4-9(10)6-12-13;1-6-3-4-7(9-2)8-5-6;7-5-6-3-1-2-4-6;1-5-3-2-4-6-5;1-2-4-6-5-3-1/h2-4,6-7H,5H2,1H3,(H,11,14);3-5H,1-2H3;5H,1-4H2;5-6H,2-4H2,1H3;6H,1-5H2.
What are the key properties of 2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde?
2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde has a molecular weight of 581.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylpyridine;N-[(1-methylindazol-5-yl)methyl]formamide;2-methylpyrrolidine;piperidine;pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 166139695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).