N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide

C17H21F3N4O — CID 72858901

IUPACN-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1C1CC1)C1CCC1
InChIInChI=1S/C17H21F3N4O/c18-17(19,20)14-6-7-21-16(23-14)24-8-12(10-4-5-10)13(9-24)22-15(25)11-2-1-3-11/h6-7,10-13H,1-5,8-9H2,(H,22,25)/t12-,13+/m1/s1
InChIKeyWTEYRLKKGOQLLQ-OLZOCXBDSA-N
MW354.38 g/mol
LogP2.63
Rot. Bonds4

About N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide

N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 72858901) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID72858901
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1C1CC1)C1CCC1
InChIInChI=1S/C17H21F3N4O/c18-17(19,20)14-6-7-21-16(23-14)24-8-12(10-4-5-10)13(9-24)22-15(25)11-2-1-3-11/h6-7,10-13H,1-5,8-9H2,(H,22,25)/t12-,13+/m1/s1
InChIKeyWTEYRLKKGOQLLQ-OLZOCXBDSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide (CID 72858901) is N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide is O=C(N[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H]1C1CC1)C1CCC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is WTEYRLKKGOQLLQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H21F3N4O/c18-17(19,20)14-6-7-21-16(23-14)24-8-12(10-4-5-10)13(9-24)22-15(25)11-2-1-3-11/h6-7,10-13H,1-5,8-9H2,(H,22,25)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide?
N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 72858901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).