N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide

C16H18N4O2S — CID 20806941

IUPACN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
SMILESCN(C=O)c1csc2cnc(C(=O)NC3CN4CC[C@H]3C4)cc12
InChIInChI=1S/C16H18N4O2S/c1-19(9-21)14-8-23-15-5-17-12(4-11(14)15)16(22)18-13-7-20-3-2-10(13)6-20/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,18,22)/t10-,13?/m0/s1
InChIKeyKYWOMFVUDSHGQG-NKUHCKNESA-N
MW330.41 g/mol
LogP1.32
Rot. Bonds4

About N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 20806941) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
PubChem CID20806941
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
SMILESCN(C=O)c1csc2cnc(C(=O)NC3CN4CC[C@H]3C4)cc12
InChIInChI=1S/C16H18N4O2S/c1-19(9-21)14-8-23-15-5-17-12(4-11(14)15)16(22)18-13-7-20-3-2-10(13)6-20/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,18,22)/t10-,13?/m0/s1
InChIKeyKYWOMFVUDSHGQG-NKUHCKNESA-N
XLogP1.32
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide
CID 87925247
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 22389089
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-(3-hydroxyprop-1-ynyl)thieno[2,3-c]pyridine-5-carboxamide
CID 22389279
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-(dimethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 22389432
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-(diethylamino)thieno[2,3-c]pyridine-5-carboxamide
CID 66815025
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047030
N-(1-azabicyclo[2.2.1]heptan-3-yl)-3-ethenylfuro[2,3-c]pyridine-5-carboxamide
CID 22389168
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
CID 66814952
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide
CID 22047077
methyl 3-[6-(1-azabicyclo[2.2.1]heptan-3-ylcarbamoyl)thieno[3,2-c]pyridin-2-yl]prop-2-ynoate
CID 22389273
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 66814576
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-3-ethenylthieno[2,3-c]pyridine-5-carboxamide
CID 66814575

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide (CID 20806941) is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide is CN(C=O)c1csc2cnc(C(=O)NC3CN4CC[C@H]3C4)cc12.
What is the InChIKey of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is KYWOMFVUDSHGQG-NKUHCKNESA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-19(9-21)14-8-23-15-5-17-12(4-11(14)15)16(22)18-13-7-20-3-2-10(13)6-20/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,18,22)/t10-,13?/m0/s1.
What are the key properties of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide?
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-[formyl(methyl)amino]thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 20806941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).