5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide

C19H25N3O2 — CID 129337692

IUPAC5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
SMILESCCc1oc(C(=O)N(Cc2cccnc2)C[C@@H]2CCNC2)cc1C
InChIInChI=1S/C19H25N3O2/c1-3-17-14(2)9-18(24-17)19(23)22(13-16-6-8-21-11-16)12-15-5-4-7-20-10-15/h4-5,7,9-10,16,21H,3,6,8,11-13H2,1-2H3/t16-/m1/s1
InChIKeyMAXFNTYQXZLVEO-MRXNPFEDSA-N
MW327.43 g/mol
LogP2.80
Rot. Bonds6

About 5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide

5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 129337692) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
PubChem CID129337692
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
SMILESCCc1oc(C(=O)N(Cc2cccnc2)C[C@@H]2CCNC2)cc1C
InChIInChI=1S/C19H25N3O2/c1-3-17-14(2)9-18(24-17)19(23)22(13-16-6-8-21-11-16)12-15-5-4-7-20-10-15/h4-5,7,9-10,16,21H,3,6,8,11-13H2,1-2H3/t16-/m1/s1
InChIKeyMAXFNTYQXZLVEO-MRXNPFEDSA-N
XLogP2.80
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide (CID 129337692) is 5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide is CCc1oc(C(=O)N(Cc2cccnc2)C[C@@H]2CCNC2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is MAXFNTYQXZLVEO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-17-14(2)9-18(24-17)19(23)22(13-16-6-8-21-11-16)12-15-5-4-7-20-10-15/h4-5,7,9-10,16,21H,3,6,8,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide?
5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 129337692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).