2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide

C17H26N4O2 — CID 124777924

IUPAC2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide
SMILESC[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)Nc1cc(C(=O)N(C)C)ccn1
InChIInChI=1S/C17H26N4O2/c1-11-6-7-12(2)21(11)13(3)16(22)19-15-10-14(8-9-18-15)17(23)20(4)5/h8-13H,6-7H2,1-5H3,(H,18,19,22)/t11-,12-,13-/m1/s1
InChIKeyJSJNVMGSNOBMGB-JHJVBQTASA-N
MW318.42 g/mol
LogP1.98
Rot. Bonds4

About 2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide

2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide (PubChem CID 124777924) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide
PubChem CID124777924
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide
SMILESC[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)Nc1cc(C(=O)N(C)C)ccn1
InChIInChI=1S/C17H26N4O2/c1-11-6-7-12(2)21(11)13(3)16(22)19-15-10-14(8-9-18-15)17(23)20(4)5/h8-13H,6-7H2,1-5H3,(H,18,19,22)/t11-,12-,13-/m1/s1
InChIKeyJSJNVMGSNOBMGB-JHJVBQTASA-N
XLogP1.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide?
The IUPAC name of 2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide (CID 124777924) is 2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide?
The canonical SMILES for 2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide is C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)Nc1cc(C(=O)N(C)C)ccn1.
What is the InChIKey of 2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide?
The InChIKey is JSJNVMGSNOBMGB-JHJVBQTASA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11-6-7-12(2)21(11)13(3)16(22)19-15-10-14(8-9-18-15)17(23)20(4)5/h8-13H,6-7H2,1-5H3,(H,18,19,22)/t11-,12-,13-/m1/s1.
What are the key properties of 2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide?
2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-N,N-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 124777924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).