N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide

C14H16N4O2S — CID 95107609

IUPACN-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESCOc1nccnc1N1CC[C@H](NC(=O)c2ccsc2)C1
InChIInChI=1S/C14H16N4O2S/c1-20-14-12(15-4-5-16-14)18-6-2-11(8-18)17-13(19)10-3-7-21-9-10/h3-5,7,9,11H,2,6,8H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyZNTBOXPSFOXCGW-NSHDSACASA-N
MW304.38 g/mol
LogP1.56
Rot. Bonds4

About N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide

N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide (PubChem CID 95107609) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
PubChem CID95107609
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESCOc1nccnc1N1CC[C@H](NC(=O)c2ccsc2)C1
InChIInChI=1S/C14H16N4O2S/c1-20-14-12(15-4-5-16-14)18-6-2-11(8-18)17-13(19)10-3-7-21-9-10/h3-5,7,9,11H,2,6,8H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyZNTBOXPSFOXCGW-NSHDSACASA-N
XLogP1.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133273038
tert-butyl N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 125461656
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiophene-3-carboxamide
CID 129475720
2-cyclopentyl-N-[(3R)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 95107616
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133298747
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide
CID 133273015
N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-3-carboxamide
CID 95136995
N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 136579408
N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 91914574
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide (CID 95107609) is N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide is COc1nccnc1N1CC[C@H](NC(=O)c2ccsc2)C1.
What is the InChIKey of N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The InChIKey is ZNTBOXPSFOXCGW-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-20-14-12(15-4-5-16-14)18-6-2-11(8-18)17-13(19)10-3-7-21-9-10/h3-5,7,9,11H,2,6,8H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 95107609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).