5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide

C18H24N4O2 — CID 166243194

IUPAC5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESNCc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)co1
InChIInChI=1S/C18H24N4O2/c19-10-17-9-16(13-24-17)18(23)21-11-14-3-7-22(8-4-14)12-15-1-5-20-6-2-15/h1-2,5-6,9,13-14H,3-4,7-8,10-12,19H2,(H,21,23)
InChIKeyOWOHBSXRMKSLFL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.78
Rot. Bonds6

About 5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide

5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide (PubChem CID 166243194) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide
PubChem CID166243194
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESNCc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)co1
InChIInChI=1S/C18H24N4O2/c19-10-17-9-16(13-24-17)18(23)21-11-14-3-7-22(8-4-14)12-15-1-5-20-6-2-15/h1-2,5-6,9,13-14H,3-4,7-8,10-12,19H2,(H,21,23)
InChIKeyOWOHBSXRMKSLFL-UHFFFAOYSA-N
XLogP1.78
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
CID 138036300
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
4-chloro-3-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895983
4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 56723382
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
2-(cyclohexen-1-yl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 56704984
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide (CID 166243194) is 5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide is NCc1cc(C(=O)NCC2CCN(Cc3ccncc3)CC2)co1.
What is the InChIKey of 5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The InChIKey is OWOHBSXRMKSLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-10-17-9-16(13-24-17)18(23)21-11-14-3-7-22(8-4-14)12-15-1-5-20-6-2-15/h1-2,5-6,9,13-14H,3-4,7-8,10-12,19H2,(H,21,23).
What are the key properties of 5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide?
5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 166243194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).