1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C17H24N4O2 — CID 53185372

IUPAC1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(Nc3cccnc3)C2)CC1
InChIInChI=1S/C17H24N4O2/c1-13(22)20-8-4-14(5-9-20)17(23)21-10-6-16(12-21)19-15-3-2-7-18-11-15/h2-3,7,11,14,16,19H,4-6,8-10,12H2,1H3
InChIKeyLTFAKDRXDHKCFH-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.35
Rot. Bonds3

About 1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 53185372) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID53185372
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(Nc3cccnc3)C2)CC1
InChIInChI=1S/C17H24N4O2/c1-13(22)20-8-4-14(5-9-20)17(23)21-10-6-16(12-21)19-15-3-2-7-18-11-15/h2-3,7,11,14,16,19H,4-6,8-10,12H2,1H3
InChIKeyLTFAKDRXDHKCFH-UHFFFAOYSA-N
XLogP1.35
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 53185372) is 1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC(Nc3cccnc3)C2)CC1.
What is the InChIKey of 1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is LTFAKDRXDHKCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(22)20-8-4-14(5-9-20)17(23)21-10-6-16(12-21)19-15-3-2-7-18-11-15/h2-3,7,11,14,16,19H,4-6,8-10,12H2,1H3.
What are the key properties of 1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 316.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(pyridin-3-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53185372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).