N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide

C20H24N4O3 — CID 50842420

IUPACN-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC(C(=O)N2CCCC2)C1)c1ccco1
InChIInChI=1S/C20H24N4O3/c25-19(17-8-5-13-27-17)22-16-7-3-9-21-18(16)24-12-4-6-15(14-24)20(26)23-10-1-2-11-23/h3,5,7-9,13,15H,1-2,4,6,10-12,14H2,(H,22,25)
InChIKeyPQZKVFJBUQFABA-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.77
Rot. Bonds4

About N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide

N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide (PubChem CID 50842420) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide
PubChem CID50842420
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC(C(=O)N2CCCC2)C1)c1ccco1
InChIInChI=1S/C20H24N4O3/c25-19(17-8-5-13-27-17)22-16-7-3-9-21-18(16)24-12-4-6-15(14-24)20(26)23-10-1-2-11-23/h3,5,7-9,13,15H,1-2,4,6,10-12,14H2,(H,22,25)
InChIKeyPQZKVFJBUQFABA-UHFFFAOYSA-N
XLogP2.77
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide (CID 50842420) is N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide is O=C(Nc1cccnc1N1CCCC(C(=O)N2CCCC2)C1)c1ccco1.
What is the InChIKey of N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide?
The InChIKey is PQZKVFJBUQFABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(17-8-5-13-27-17)22-16-7-3-9-21-18(16)24-12-4-6-15(14-24)20(26)23-10-1-2-11-23/h3,5,7-9,13,15H,1-2,4,6,10-12,14H2,(H,22,25).
What are the key properties of N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide?
N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 50842420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).