N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide

C20H25ClN4O2S — CID 146637408

About N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide

N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide (PubChem CID 146637408) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide
• PubChem CID: 146637408
• Molecular Formula: C20H25ClN4O2S
• Molecular Weight: 420.97 g/mol
• Exact Mass: 420.14
• IUPAC Name: N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide
• SMILES: CN(C(=O)c1ccc(Cl)s1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1
• InChI: InChI=1S/C20H25ClN4O2S/c1-20(2,3)23-17-8-5-13(11-22-17)18(26)25-10-9-14(12-25)24(4)19(27)15-6-7-16(21)28-15/h5-8,11,14H,9-10,12H2,1-4H3,(H,22,23)/t14-/m0/s1
• InChIKey: GEOORNMNCJUUAT-AWEZNQCLSA-N
• XLogP: 3.99
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.97
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide?

The IUPAC name of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide (CID 146637408) is N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide?

The canonical SMILES for N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide is CN(C(=O)c1ccc(Cl)s1)[C@H]1CCN(C(=O)c2ccc(NC(C)(C)C)nc2)C1.

What is the InChIKey of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide?

The InChIKey is GEOORNMNCJUUAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25ClN4O2S/c1-20(2,3)23-17-8-5-13(11-22-17)18(26)25-10-9-14(12-25)24(4)19(27)15-6-7-16(21)28-15/h5-8,11,14H,9-10,12H2,1-4H3,(H,22,23)/t14-/m0/s1.

What are the key properties of N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide?

N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide has a molecular weight of 420.97 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-5-chloro-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 146637408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).