6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide

C15H22N4O2 — CID 97221178

IUPAC6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCC[C@H]1CCCN1C(=O)Nc1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C15H22N4O2/c1-4-11-7-6-10-19(11)15(21)17-13-9-5-8-12(16-13)14(20)18(2)3/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,16,17,21)/t11-/m0/s1
InChIKeyWKFLJZJYPPAPNV-NSHDSACASA-N
MW290.37 g/mol
LogP2.19
Rot. Bonds3

About 6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide

6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 97221178) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID97221178
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCC[C@H]1CCCN1C(=O)Nc1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C15H22N4O2/c1-4-11-7-6-10-19(11)15(21)17-13-9-5-8-12(16-13)14(20)18(2)3/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,16,17,21)/t11-/m0/s1
InChIKeyWKFLJZJYPPAPNV-NSHDSACASA-N
XLogP2.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide (CID 97221178) is 6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide is CC[C@H]1CCCN1C(=O)Nc1cccc(C(=O)N(C)C)n1.
What is the InChIKey of 6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is WKFLJZJYPPAPNV-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-11-7-6-10-19(11)15(21)17-13-9-5-8-12(16-13)14(20)18(2)3/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,16,17,21)/t11-/m0/s1.
What are the key properties of 6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide?
6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-ethylpyrrolidine-1-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 97221178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).