(2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide

C18H21F2N3O3 — CID 90203444

IUPAC(2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C18H21F2N3O3/c19-18(20)7-14(15(21)24)23(9-18)17(25)13-6-5-12(11-3-4-11)16(22-13)26-8-10-1-2-10/h5-6,10-11,14H,1-4,7-9H2,(H2,21,24)/t14-/m0/s1
InChIKeyVVFMTXUAODNFIP-AWEZNQCLSA-N
MW365.38 g/mol
LogP2.08
Rot. Bonds6

About (2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide

(2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 90203444) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is (2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID90203444
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name(2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C18H21F2N3O3/c19-18(20)7-14(15(21)24)23(9-18)17(25)13-6-5-12(11-3-4-11)16(22-13)26-8-10-1-2-10/h5-6,10-11,14H,1-4,7-9H2,(H2,21,24)/t14-/m0/s1
InChIKeyVVFMTXUAODNFIP-AWEZNQCLSA-N
XLogP2.08
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide (CID 90203444) is (2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide is NC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of (2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is VVFMTXUAODNFIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c19-18(20)7-14(15(21)24)23(9-18)17(25)13-6-5-12(11-3-4-11)16(22-13)26-8-10-1-2-10/h5-6,10-11,14H,1-4,7-9H2,(H2,21,24)/t14-/m0/s1.
What are the key properties of (2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide?
(2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 90203444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).