4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide

C14H22N4S — CID 55157619

IUPAC4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide
SMILESCCCN1CCC(Nc2ccnc(C(N)=S)c2)CC1
InChIInChI=1S/C14H22N4S/c1-2-7-18-8-4-11(5-9-18)17-12-3-6-16-13(10-12)14(15)19/h3,6,10-11H,2,4-5,7-9H2,1H3,(H2,15,19)(H,16,17)
InChIKeyLLCMAOGVVCPQGH-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.00
Rot. Bonds5

About 4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide

4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide (PubChem CID 55157619) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide
PubChem CID55157619
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide
SMILESCCCN1CCC(Nc2ccnc(C(N)=S)c2)CC1
InChIInChI=1S/C14H22N4S/c1-2-7-18-8-4-11(5-9-18)17-12-3-6-16-13(10-12)14(15)19/h3,6,10-11H,2,4-5,7-9H2,1H3,(H2,15,19)(H,16,17)
InChIKeyLLCMAOGVVCPQGH-UHFFFAOYSA-N
XLogP2.00
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 60703936
4-[(1-methylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 43517657
2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43736426
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
5-bromo-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
CID 114891528
5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
CID 63674899
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
CID 54864978
2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
CID 60708962
2-ethyl-N-[1-(2-methoxyethyl)piperidin-4-yl]pyridin-4-amine
CID 144986544
1-propyl-N-thiophen-3-ylpiperidin-4-amine
CID 66352075
4-[(1-cyclopentylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 154797079
2-methoxy-5-[(1-propylpiperidin-4-yl)amino]phenol
CID 43743683

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide?
The IUPAC name of 4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide (CID 55157619) is 4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide is CCCN1CCC(Nc2ccnc(C(N)=S)c2)CC1.
What is the InChIKey of 4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide?
The InChIKey is LLCMAOGVVCPQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-2-7-18-8-4-11(5-9-18)17-12-3-6-16-13(10-12)14(15)19/h3,6,10-11H,2,4-5,7-9H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide?
4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide has a molecular weight of 278.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 55157619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).