N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide

C19H29N3O2 — CID 42372234

IUPACN-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide
SMILESCCc1c(C(=O)NC2CC2)c(=O)cc(C)n1C[C@H]1CCCN1CC
InChIInChI=1S/C19H29N3O2/c1-4-16-18(19(24)20-14-8-9-14)17(23)11-13(3)22(16)12-15-7-6-10-21(15)5-2/h11,14-15H,4-10,12H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyMGLSDTXCGZICTG-OAHLLOKOSA-N
MW331.46 g/mol
LogP2.10
Rot. Bonds6

About N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide

N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide (PubChem CID 42372234) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide
PubChem CID42372234
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide
SMILESCCc1c(C(=O)NC2CC2)c(=O)cc(C)n1C[C@H]1CCCN1CC
InChIInChI=1S/C19H29N3O2/c1-4-16-18(19(24)20-14-8-9-14)17(23)11-13(3)22(16)12-15-7-6-10-21(15)5-2/h11,14-15H,4-10,12H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyMGLSDTXCGZICTG-OAHLLOKOSA-N
XLogP2.10
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide (CID 42372234) is N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide is CCc1c(C(=O)NC2CC2)c(=O)cc(C)n1C[C@H]1CCCN1CC.
What is the InChIKey of N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide?
The InChIKey is MGLSDTXCGZICTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-16-18(19(24)20-14-8-9-14)17(23)11-13(3)22(16)12-15-7-6-10-21(15)5-2/h11,14-15H,4-10,12H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide?
N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 42372234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).