3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide

C14H21N3OS — CID 105070782

IUPAC3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCC1CCCS1
InChIInChI=1S/C14H21N3OS/c1-2-6-16-13-10-15-7-5-12(13)14(18)17-9-11-4-3-8-19-11/h5,7,10-11,16H,2-4,6,8-9H2,1H3,(H,17,18)
InChIKeyHJFFYATTZTYPNL-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.53
Rot. Bonds6

About 3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide

3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 105070782) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID105070782
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCC1CCCS1
InChIInChI=1S/C14H21N3OS/c1-2-6-16-13-10-15-7-5-12(13)14(18)17-9-11-4-3-8-19-11/h5,7,10-11,16H,2-4,6,8-9H2,1H3,(H,17,18)
InChIKeyHJFFYATTZTYPNL-UHFFFAOYSA-N
XLogP2.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 81245780
2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586609
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
4-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586222
5-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586079
N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068089
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide (CID 105070782) is 3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NCC1CCCS1.
What is the InChIKey of 3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is HJFFYATTZTYPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-6-16-13-10-15-7-5-12(13)14(18)17-9-11-4-3-8-19-11/h5,7,10-11,16H,2-4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide?
3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105070782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).