(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid

C19H17N3O4 — CID 170171245

IUPAC(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(N[C@@H]1CCN(C(=O)O)C1)c1ccc(-c2nccc3occc23)cc1
InChIInChI=1S/C19H17N3O4/c23-18(21-14-6-9-22(11-14)19(24)25)13-3-1-12(2-4-13)17-15-7-10-26-16(15)5-8-20-17/h1-5,7-8,10,14H,6,9,11H2,(H,21,23)(H,24,25)/t14-/m1/s1
InChIKeyFWDXBGJSGYZPHN-CQSZACIVSA-N
MW351.36 g/mol
LogP2.98
Rot. Bonds3

About (3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid

(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 170171245) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID170171245
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(N[C@@H]1CCN(C(=O)O)C1)c1ccc(-c2nccc3occc23)cc1
InChIInChI=1S/C19H17N3O4/c23-18(21-14-6-9-22(11-14)19(24)25)13-3-1-12(2-4-13)17-15-7-10-26-16(15)5-8-20-17/h1-5,7-8,10,14H,6,9,11H2,(H,21,23)(H,24,25)/t14-/m1/s1
InChIKeyFWDXBGJSGYZPHN-CQSZACIVSA-N
XLogP2.98
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-furo[3,2-c]pyridin-4-yl-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]benzamide
CID 166900969
4-furo[3,2-c]pyridin-4-yl-N-pyrrolidin-3-ylbenzamide
CID 166900825
4-furo[3,2-c]pyridin-4-yl-N-[(3S)-1-[5-(hydroxymethyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide
CID 162519560
trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 170170991
4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 166901154
4-furo[3,2-c]pyridin-4-yl-N-(1-pyridazin-3-ylpiperidin-4-yl)benzamide
CID 162519533
N-[4-(difluoromethyl)cyclohexyl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900588
N-[1-[5-[acetyl(methyl)amino]pyrimidin-2-yl]piperidin-4-yl]-4-furo[3,2-c]pyridin-4-ylbenzamide
CID 166900978
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxycyclopropyl)cyclohexyl]benzamide
CID 162519561
4-furo[3,2-c]pyridin-4-yl-N-[4-(1-hydroxyethyl)cyclohexyl]benzamide
CID 162519495
4-ethyl-2-[4-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 170173451
4-furo[3,2-c]pyridin-4-yl-N-[4-(2-methoxyethylamino)cyclohexyl]benzamide
CID 162519539

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid (CID 170171245) is (3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid is O=C(N[C@@H]1CCN(C(=O)O)C1)c1ccc(-c2nccc3occc23)cc1.
What is the InChIKey of (3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is FWDXBGJSGYZPHN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-18(21-14-6-9-22(11-14)19(24)25)13-3-1-12(2-4-13)17-15-7-10-26-16(15)5-8-20-17/h1-5,7-8,10,14H,6,9,11H2,(H,21,23)(H,24,25)/t14-/m1/s1.
What are the key properties of (3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid?
(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 351.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 170171245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).