6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide

C25H29N5O3 — CID 15985088

IUPAC6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(NC(=O)N3CC[C@@H](N4CCC(c5ccccc5)CC4)C3)c(C(N)=O)oc2n1
InChIInChI=1S/C25H29N5O3/c1-16-7-8-20-21(22(23(26)31)33-24(20)27-16)28-25(32)30-14-11-19(15-30)29-12-9-18(10-13-29)17-5-3-2-4-6-17/h2-8,18-19H,9-15H2,1H3,(H2,26,31)(H,28,32)/t19-/m1/s1
InChIKeyKJWYNEKRPKQVNC-LJQANCHMSA-N
MW447.54 g/mol
LogP3.72
Rot. Bonds4

About 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide

6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide (PubChem CID 15985088) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
PubChem CID15985088
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(NC(=O)N3CC[C@@H](N4CCC(c5ccccc5)CC4)C3)c(C(N)=O)oc2n1
InChIInChI=1S/C25H29N5O3/c1-16-7-8-20-21(22(23(26)31)33-24(20)27-16)28-25(32)30-14-11-19(15-30)29-12-9-18(10-13-29)17-5-3-2-4-6-17/h2-8,18-19H,9-15H2,1H3,(H2,26,31)(H,28,32)/t19-/m1/s1
InChIKeyKJWYNEKRPKQVNC-LJQANCHMSA-N
XLogP3.72
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide 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

3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 15985087
3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide
CID 15986092
3-[[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 143374828
4-N-(2-carbamoyl-6-methylfuro[2,3-b]pyridin-3-yl)-2-N-cyclopentylmorpholine-2,4-dicarboxamide
CID 143374983
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
CID 143374812
(3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide
CID 11964121
N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 118780526
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208
(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 143724817
N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139858
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide (CID 15985088) is 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(NC(=O)N3CC[C@@H](N4CCC(c5ccccc5)CC4)C3)c(C(N)=O)oc2n1.
What is the InChIKey of 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is KJWYNEKRPKQVNC-LJQANCHMSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-16-7-8-20-21(22(23(26)31)33-24(20)27-16)28-25(32)30-14-11-19(15-30)29-12-9-18(10-13-29)17-5-3-2-4-6-17/h2-8,18-19H,9-15H2,1H3,(H2,26,31)(H,28,32)/t19-/m1/s1.
What are the key properties of 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[(3R)-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 15985088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).