3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide

C19H27N5O3 — CID 56751758

IUPAC3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
SMILESNC(=O)CCNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1
InChIInChI=1S/C19H27N5O3/c20-16(25)5-8-21-17-4-3-15(12-22-17)19(27)23-10-6-14(7-11-23)13-24-9-1-2-18(24)26/h3-4,12,14H,1-2,5-11,13H2,(H2,20,25)(H,21,22)
InChIKeyBCRYZOWHZCPGGX-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.84
Rot. Bonds7

About 3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide

3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide (PubChem CID 56751758) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
PubChem CID56751758
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
SMILESNC(=O)CCNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1
InChIInChI=1S/C19H27N5O3/c20-16(25)5-8-21-17-4-3-15(12-22-17)19(27)23-10-6-14(7-11-23)13-24-9-1-2-18(24)26/h3-4,12,14H,1-2,5-11,13H2,(H2,20,25)(H,21,22)
InChIKeyBCRYZOWHZCPGGX-UHFFFAOYSA-N
XLogP0.84
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide?
The IUPAC name of 3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide (CID 56751758) is 3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide.
What is the SMILES notation for 3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide?
The canonical SMILES for 3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide is NC(=O)CCNc1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1.
What is the InChIKey of 3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide?
The InChIKey is BCRYZOWHZCPGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c20-16(25)5-8-21-17-4-3-15(12-22-17)19(27)23-10-6-14(7-11-23)13-24-9-1-2-18(24)26/h3-4,12,14H,1-2,5-11,13H2,(H2,20,25)(H,21,22).
What are the key properties of 3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide?
3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide has a molecular weight of 373.46 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 56751758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).