N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide

C22H34N4O3 — CID 97279772

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1
InChIInChI=1S/C22H34N4O3/c1-3-25-10-4-5-19(25)15-23-20(27)7-6-17-8-11-26(12-9-17)22(29)18-13-16(2)24-21(28)14-18/h13-14,17,19H,3-12,15H2,1-2H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyCFBCJJBCAJQZDF-LJQANCHMSA-N
MW402.54 g/mol
LogP1.92
Rot. Bonds7

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 97279772) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID97279772
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1
InChIInChI=1S/C22H34N4O3/c1-3-25-10-4-5-19(25)15-23-20(27)7-6-17-8-11-26(12-9-17)22(29)18-13-16(2)24-21(28)14-18/h13-14,17,19H,3-12,15H2,1-2H3,(H,23,27)(H,24,28)/t19-/m1/s1
InChIKeyCFBCJJBCAJQZDF-LJQANCHMSA-N
XLogP1.92
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide (CID 97279772) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide is CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)[nH]c(=O)c2)CC1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is CFBCJJBCAJQZDF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-3-25-10-4-5-19(25)15-23-20(27)7-6-17-8-11-26(12-9-17)22(29)18-13-16(2)24-21(28)14-18/h13-14,17,19H,3-12,15H2,1-2H3,(H,23,27)(H,24,28)/t19-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 402.54 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 97279772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).