N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide

C18H28N4O2 — CID 146637370

IUPACN-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCCC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N(C)C(C)=O)C2)cn1
InChIInChI=1S/C18H28N4O2/c1-6-18(3,4)20-16-8-7-14(11-19-16)17(24)22-10-9-15(12-22)21(5)13(2)23/h7-8,11,15H,6,9-10,12H2,1-5H3,(H,19,20)/t15-/m0/s1
InChIKeyRXCZIQKKCFSUSV-HNNXBMFYSA-N
MW332.45 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide

N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 146637370) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID146637370
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCCC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N(C)C(C)=O)C2)cn1
InChIInChI=1S/C18H28N4O2/c1-6-18(3,4)20-16-8-7-14(11-19-16)17(24)22-10-9-15(12-22)21(5)13(2)23/h7-8,11,15H,6,9-10,12H2,1-5H3,(H,19,20)/t15-/m0/s1
InChIKeyRXCZIQKKCFSUSV-HNNXBMFYSA-N
XLogP2.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide (CID 146637370) is N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide is CCC(C)(C)Nc1ccc(C(=O)N2CC[C@H](N(C)C(C)=O)C2)cn1.
What is the InChIKey of N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is RXCZIQKKCFSUSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-6-18(3,4)20-16-8-7-14(11-19-16)17(24)22-10-9-15(12-22)21(5)13(2)23/h7-8,11,15H,6,9-10,12H2,1-5H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide?
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146637370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).