(3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

C16H20N4O5 — CID 139020360

IUPAC(3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCN(C)C(=O)c1cc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)ccn1
InChIInChI=1S/C16H20N4O5/c1-19(2)13(21)12-5-11(3-4-17-12)18-15(24)20-6-10-7-25-9-16(10,8-20)14(22)23/h3-5,10H,6-9H2,1-2H3,(H,22,23)(H,17,18,24)/t10-,16-/m1/s1
InChIKeyBYRSCYSNVCJMJK-QLJPJBMISA-N
MW348.36 g/mol
LogP0.35
Rot. Bonds3

About (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid

(3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid (PubChem CID 139020360) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
PubChem CID139020360
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name(3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
SMILESCN(C)C(=O)c1cc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)ccn1
InChIInChI=1S/C16H20N4O5/c1-19(2)13(21)12-5-11(3-4-17-12)18-15(24)20-6-10-7-25-9-16(10,8-20)14(22)23/h3-5,10H,6-9H2,1-2H3,(H,22,23)(H,17,18,24)/t10-,16-/m1/s1
InChIKeyBYRSCYSNVCJMJK-QLJPJBMISA-N
XLogP0.35
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,6aR)-5-[(4-ethyl-3-methoxyphenyl)carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 146107150
(3aR,6aR)-5-[[2-(cyclopropylmethyl)pyrimidin-5-yl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 167985224
(3aR,6aR)-5-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 136583595
(3aR,6aR)-5-[(4-chloro-1-ethylpyrazol-3-yl)carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138006188
(3aR,6aR)-5-[(1-butyl-5-methylpyrazol-4-yl)carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139020361
4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66241308
(3aR,7aR)-2-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154812106
(3aR,6aR)-5-[(4-cyano-2-fluorophenyl)methylcarbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 167954825
(3aR,6aR)-5-(3-phenoxypropanoyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138806566
N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 128614385
(3aR,6aR)-5-(8-fluoroquinoline-6-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138028513
(3aS,6aR)-2-(pyridazin-4-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122095165

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid (CID 139020360) is (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid is CN(C)C(=O)c1cc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)ccn1.
What is the InChIKey of (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
The InChIKey is BYRSCYSNVCJMJK-QLJPJBMISA-N. The full InChI is InChI=1S/C16H20N4O5/c1-19(2)13(21)12-5-11(3-4-17-12)18-15(24)20-6-10-7-25-9-16(10,8-20)14(22)23/h3-5,10H,6-9H2,1-2H3,(H,22,23)(H,17,18,24)/t10-,16-/m1/s1.
What are the key properties of (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid?
(3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-[[2-(dimethylcarbamoyl)-4-pyridinyl]carbamoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 139020360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).