N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide

C14H19N3O3S — CID 109201729

IUPACN-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
SMILESCN(c1ccnc(C(=O)NC2CC2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N3O3S/c1-17(12-5-7-21(19,20)9-12)11-4-6-15-13(8-11)14(18)16-10-2-3-10/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,16,18)
InChIKeyYVNVYFKMQJDWAO-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.60
Rot. Bonds4

About N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide

N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide (PubChem CID 109201729) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
PubChem CID109201729
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
SMILESCN(c1ccnc(C(=O)NC2CC2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N3O3S/c1-17(12-5-7-21(19,20)9-12)11-4-6-15-13(8-11)14(18)16-10-2-3-10/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,16,18)
InChIKeyYVNVYFKMQJDWAO-UHFFFAOYSA-N
XLogP0.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109298075
N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109215100
N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carboxamide
CID 109331425
N-cyclopropyl-4-(diethylamino)pyridine-2-carboxamide
CID 109201751
N-cyclopentyl-4-(dipropylamino)pyridine-2-carboxamide
CID 109204064
N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide
CID 146125648
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109237153
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pentylpyridine-2-carboxamide
CID 109193284
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296932
2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N-ethylpyridine-2,4-dicarboxamide
CID 109084037
N-(2,6-difluorophenyl)-4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109215827
N-(2,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109309308

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide (CID 109201729) is N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide is CN(c1ccnc(C(=O)NC2CC2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The InChIKey is YVNVYFKMQJDWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-17(12-5-7-21(19,20)9-12)11-4-6-15-13(8-11)14(18)16-10-2-3-10/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109201729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).