2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide

C14H16N4S — CID 61449400

IUPAC2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
SMILESCCN(Cc1ccncc1)c1cc(C(N)=S)ccn1
InChIInChI=1S/C14H16N4S/c1-2-18(10-11-3-6-16-7-4-11)13-9-12(14(15)19)5-8-17-13/h3-9H,2,10H2,1H3,(H2,15,19)
InChIKeyHGNSZWNQHOGQRP-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.14
Rot. Bonds5

About 2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide

2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide (PubChem CID 61449400) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
PubChem CID61449400
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
SMILESCCN(Cc1ccncc1)c1cc(C(N)=S)ccn1
InChIInChI=1S/C14H16N4S/c1-2-18(10-11-3-6-16-7-4-11)13-9-12(14(15)19)5-8-17-13/h3-9H,2,10H2,1H3,(H2,15,19)
InChIKeyHGNSZWNQHOGQRP-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]pyridine-4-carbothioamide
CID 60981724
4-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 54948605
4-[ethyl(pyridin-4-ylmethyl)amino]benzenecarbothioamide
CID 61449401
3-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 114288289
2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-3-carbothioamide
CID 61449365
2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide
CID 75374046
2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
CID 60875501
methyl 2-[(4-carbamothioyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956262
2-[2-(dimethylamino)ethyl-methylamino]pyridine-4-carbothioamide
CID 63695419
2-N-ethyl-2-N-(pyridin-4-ylmethyl)pyrazine-2,5-diamine
CID 80653271
2-[methyl(pentan-2-yl)amino]pyridine-4-carbothioamide
CID 43572453
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carbothioamide
CID 54990055

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide?
The IUPAC name of 2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide (CID 61449400) is 2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide?
The canonical SMILES for 2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide is CCN(Cc1ccncc1)c1cc(C(N)=S)ccn1.
What is the InChIKey of 2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide?
The InChIKey is HGNSZWNQHOGQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-18(10-11-3-6-16-7-4-11)13-9-12(14(15)19)5-8-17-13/h3-9H,2,10H2,1H3,(H2,15,19).
What are the key properties of 2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide?
2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide has a molecular weight of 272.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide is sourced from PubChem (CID 61449400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).