3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid

C28H33N5O6 — CID 142922546

IUPAC3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid
SMILESCCCC(CC[C@H](C)C(=O)Nc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(C(=O)O)nc12)N1CCCC1=O
InChIInChI=1S/C28H33N5O6/c1-4-6-18(33-14-5-7-22(33)34)10-9-17(3)26(35)32-24-23-20(12-11-19(30-23)28(37)38)39-25(24)27(36)31-21-13-8-16(2)15-29-21/h8,11-13,15,17-18H,4-7,9-10,14H2,1-3H3,(H,32,35)(H,37,38)(H,29,31,36)/t17-,18?/m0/s1
InChIKeyURHKTLBZMGINIH-ZENAZSQFSA-N
MW535.60 g/mol
LogP4.63
Rot. Bonds11

About 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid

3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid (PubChem CID 142922546) has the molecular formula C28H33N5O6 and a molecular weight of 535.60 g/mol. Its IUPAC name is 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid
PubChem CID142922546
Molecular FormulaC28H33N5O6
Molecular Weight535.60 g/mol
Exact Mass535.24
IUPAC Name3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid
SMILESCCCC(CC[C@H](C)C(=O)Nc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(C(=O)O)nc12)N1CCCC1=O
InChIInChI=1S/C28H33N5O6/c1-4-6-18(33-14-5-7-22(33)34)10-9-17(3)26(35)32-24-23-20(12-11-19(30-23)28(37)38)39-25(24)27(36)31-21-13-8-16(2)15-29-21/h8,11-13,15,17-18H,4-7,9-10,14H2,1-3H3,(H,32,35)(H,37,38)(H,29,31,36)/t17-,18?/m0/s1
InChIKeyURHKTLBZMGINIH-ZENAZSQFSA-N
XLogP4.63
TPSA154.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.60
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid with MolForge

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Related Compounds

5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide
CID 142922611
3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide
CID 142922497
(1R)-4-[ethyl(methyl)amino]oxycyclooctane-1-carbaldehyde;3-(methylamino)-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid;N-methylmethanamine
CID 142922487
N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
CID 97442348
2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-5-carboxylic acid
CID 10392551
6-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 61318986
N-(5-methyl-2-pyridinyl)-3-(propan-2-ylamino)furo[3,2-c]pyridine-2-carboxamide
CID 142922333
(2R)-2-methyl-N-(5-methyl-2-pyridinyl)-3-morpholin-4-ylpropanamide
CID 97252488
ethane;N-(5-methyl-2-pyridinyl)-3-(propan-2-ylamino)furo[3,2-c]pyridine-2-carboxamide
CID 142922332
2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696469
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
3-amino-5-hydroxy-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 142811985

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid (CID 142922546) is 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid is CCCC(CC[C@H](C)C(=O)Nc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(C(=O)O)nc12)N1CCCC1=O.
What is the InChIKey of 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid?
The InChIKey is URHKTLBZMGINIH-ZENAZSQFSA-N. The full InChI is InChI=1S/C28H33N5O6/c1-4-6-18(33-14-5-7-22(33)34)10-9-17(3)26(35)32-24-23-20(12-11-19(30-23)28(37)38)39-25(24)27(36)31-21-13-8-16(2)15-29-21/h8,11-13,15,17-18H,4-7,9-10,14H2,1-3H3,(H,32,35)(H,37,38)(H,29,31,36)/t17-,18?/m0/s1.
What are the key properties of 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid?
3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid has a molecular weight of 535.60 g/mol, XLogP of 4.63, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-methyl-5-(2-oxopyrrolidin-1-yl)octanoyl]amino]-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 142922546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).