2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide

C19H29N3O — CID 72898016

IUPAC2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)[C@H]1CN(Cc2ccccn2)C[C@@H]1NC(=O)CC1CCC1
InChIInChI=1S/C19H29N3O/c1-14(2)17-12-22(11-16-8-3-4-9-20-16)13-18(17)21-19(23)10-15-6-5-7-15/h3-4,8-9,14-15,17-18H,5-7,10-13H2,1-2H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyRYMBLYGXYINQLJ-MSOLQXFVSA-N
MW315.46 g/mol
LogP2.84
Rot. Bonds6

About 2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide

2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 72898016) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID72898016
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)[C@H]1CN(Cc2ccccn2)C[C@@H]1NC(=O)CC1CCC1
InChIInChI=1S/C19H29N3O/c1-14(2)17-12-22(11-16-8-3-4-9-20-16)13-18(17)21-19(23)10-15-6-5-7-15/h3-4,8-9,14-15,17-18H,5-7,10-13H2,1-2H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyRYMBLYGXYINQLJ-MSOLQXFVSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide (CID 72898016) is 2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide is CC(C)[C@H]1CN(Cc2ccccn2)C[C@@H]1NC(=O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is RYMBLYGXYINQLJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(2)17-12-22(11-16-8-3-4-9-20-16)13-18(17)21-19(23)10-15-6-5-7-15/h3-4,8-9,14-15,17-18H,5-7,10-13H2,1-2H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of 2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide?
2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(3R,4S)-4-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72898016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).