4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide

C19H23N5O3 — CID 136577040

IUPAC4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H23N5O3/c25-18(16-6-4-14-27-16)23-10-12-24(13-11-23)19(26)21-15-5-3-7-20-17(15)22-8-1-2-9-22/h3-7,14H,1-2,8-13H2,(H,21,26)
InChIKeyKPSQRMHLJWETLL-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.26
Rot. Bonds3

About 4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 136577040) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID136577040
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H23N5O3/c25-18(16-6-4-14-27-16)23-10-12-24(13-11-23)19(26)21-15-5-3-7-20-17(15)22-8-1-2-9-22/h3-7,14H,1-2,8-13H2,(H,21,26)
InChIKeyKPSQRMHLJWETLL-UHFFFAOYSA-N
XLogP2.26
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
N-[2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 50842420
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 20506465
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 39830660
azepan-1-yl(furan-2-yl)methanone
CID 5200992
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 166183666
(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide
CID 95580121
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide (CID 136577040) is 4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide is O=C(Nc1cccnc1N1CCCC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is KPSQRMHLJWETLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-18(16-6-4-14-27-16)23-10-12-24(13-11-23)19(26)21-15-5-3-7-20-17(15)22-8-1-2-9-22/h3-7,14H,1-2,8-13H2,(H,21,26).
What are the key properties of 4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 136577040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).