N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide

C15H16N4O2S — CID 119412807

IUPACN-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESN[C@@H]1CCN(C(=O)c2sccc2NC(=O)c2ccncc2)C1
InChIInChI=1S/C15H16N4O2S/c16-11-3-7-19(9-11)15(21)13-12(4-8-22-13)18-14(20)10-1-5-17-6-2-10/h1-2,4-6,8,11H,3,7,9,16H2,(H,18,20)/t11-/m1/s1
InChIKeyRJBMGDGQZHYUAG-LLVKDONJSA-N
MW316.39 g/mol
LogP1.57
Rot. Bonds3

About N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide

N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide (PubChem CID 119412807) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide
PubChem CID119412807
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESN[C@@H]1CCN(C(=O)c2sccc2NC(=O)c2ccncc2)C1
InChIInChI=1S/C15H16N4O2S/c16-11-3-7-19(9-11)15(21)13-12(4-8-22-13)18-14(20)10-1-5-17-6-2-10/h1-2,4-6,8,11H,3,7,9,16H2,(H,18,20)/t11-/m1/s1
InChIKeyRJBMGDGQZHYUAG-LLVKDONJSA-N
XLogP1.57
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335990
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119409444
N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
CID 47323861
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 80553795
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
N-[2-(3-aminopiperidine-1-carbonyl)-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119378723
(3-aminopyrrolidin-1-yl)-(3-aminothieno[2,3-c]pyridin-2-yl)methanone
CID 113269844
N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120598578
N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 60556218
N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 95160272
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120945879

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide (CID 119412807) is N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide is N[C@@H]1CCN(C(=O)c2sccc2NC(=O)c2ccncc2)C1.
What is the InChIKey of N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide?
The InChIKey is RJBMGDGQZHYUAG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-11-3-7-19(9-11)15(21)13-12(4-8-22-13)18-14(20)10-1-5-17-6-2-10/h1-2,4-6,8,11H,3,7,9,16H2,(H,18,20)/t11-/m1/s1.
What are the key properties of N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide?
N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 119412807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).