N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide

C19H26N4O2 — CID 91923180

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1CN(C)C
InChIInChI=1S/C19H26N4O2/c1-14-17(6-8-25-14)19(24)21-18-13-23(12-16(18)11-22(2)3)10-15-5-4-7-20-9-15/h4-9,16,18H,10-13H2,1-3H3,(H,21,24)/t16-,18-/m1/s1
InChIKeyQJCLFRGXNXGAES-SJLPKXTDSA-N
MW342.44 g/mol
LogP1.78
Rot. Bonds6

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 91923180) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide
PubChem CID91923180
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1CN(C)C
InChIInChI=1S/C19H26N4O2/c1-14-17(6-8-25-14)19(24)21-18-13-23(12-16(18)11-22(2)3)10-15-5-4-7-20-9-15/h4-9,16,18H,10-13H2,1-3H3,(H,21,24)/t16-,18-/m1/s1
InChIKeyQJCLFRGXNXGAES-SJLPKXTDSA-N
XLogP1.78
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide (CID 91923180) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is QJCLFRGXNXGAES-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-17(6-8-25-14)19(24)21-18-13-23(12-16(18)11-22(2)3)10-15-5-4-7-20-9-15/h4-9,16,18H,10-13H2,1-3H3,(H,21,24)/t16-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 91923180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).