6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde

C15H16N2OS — CID 80636982

IUPAC6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H16N2OS/c1-11-7-12(10-18)8-16-15(11)17(13-4-5-13)9-14-3-2-6-19-14/h2-3,6-8,10,13H,4-5,9H2,1H3
InChIKeyLGZGZFTVKYHVQB-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.43
Rot. Bonds5

About 6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde

6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde (PubChem CID 80636982) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
PubChem CID80636982
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C15H16N2OS/c1-11-7-12(10-18)8-16-15(11)17(13-4-5-13)9-14-3-2-6-19-14/h2-3,6-8,10,13H,4-5,9H2,1H3
InChIKeyLGZGZFTVKYHVQB-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808866
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61449696
5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 114215437
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
3-chloro-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 114067045
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 113387731
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 114214176
3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-4-methoxybenzaldehyde
CID 62029913
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62752585

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde (CID 80636982) is 6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1N(Cc1cccs1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde?
The InChIKey is LGZGZFTVKYHVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-7-12(10-18)8-16-15(11)17(13-4-5-13)9-14-3-2-6-19-14/h2-3,6-8,10,13H,4-5,9H2,1H3.
What are the key properties of 6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde?
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde has a molecular weight of 272.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80636982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).