N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide

C12H20N4O3S — CID 62168878

IUPACN-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-3-6-13-11-10(5-4-7-14-11)12(17)15-8-9-16-20(2,18)19/h4-5,7,16H,3,6,8-9H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyZUSROVBBBDPDCX-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.18
Rot. Bonds8

About N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide

N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62168878) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
PubChem CID62168878
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-3-6-13-11-10(5-4-7-14-11)12(17)15-8-9-16-20(2,18)19/h4-5,7,16H,3,6,8-9H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyZUSROVBBBDPDCX-UHFFFAOYSA-N
XLogP0.18
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide
CID 79557910
2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
CID 43420764
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
3-fluoro-N-[2-(methanesulfonamido)ethyl]-2-(propylamino)benzamide
CID 62662394
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
N-(2-methyl-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 79043163
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
2-(propylamino)pyridine-3-carboxylate
CID 22068597
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide (CID 62168878) is N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is ZUSROVBBBDPDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-6-13-11-10(5-4-7-14-11)12(17)15-8-9-16-20(2,18)19/h4-5,7,16H,3,6,8-9H2,1-2H3,(H,13,14)(H,15,17).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide?
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62168878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).