(2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide

C18H27N3O2 — CID 156875505

IUPAC(2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide
SMILESCc1cccnc1OCC1(NC(=O)[C@H](C)[C@H]2CCCN2C)CC1
InChIInChI=1S/C18H27N3O2/c1-13-6-4-10-19-17(13)23-12-18(8-9-18)20-16(22)14(2)15-7-5-11-21(15)3/h4,6,10,14-15H,5,7-9,11-12H2,1-3H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyBLMMATNGMBUUQW-HUUCEWRRSA-N
MW317.43 g/mol
LogP2.15
Rot. Bonds6

About (2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide

(2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide (PubChem CID 156875505) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide
PubChem CID156875505
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide
SMILESCc1cccnc1OCC1(NC(=O)[C@H](C)[C@H]2CCCN2C)CC1
InChIInChI=1S/C18H27N3O2/c1-13-6-4-10-19-17(13)23-12-18(8-9-18)20-16(22)14(2)15-7-5-11-21(15)3/h4,6,10,14-15H,5,7-9,11-12H2,1-3H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyBLMMATNGMBUUQW-HUUCEWRRSA-N
XLogP2.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide?
The IUPAC name of (2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide (CID 156875505) is (2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide.
What is the SMILES notation for (2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide?
The canonical SMILES for (2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide is Cc1cccnc1OCC1(NC(=O)[C@H](C)[C@H]2CCCN2C)CC1.
What is the InChIKey of (2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide?
The InChIKey is BLMMATNGMBUUQW-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-6-4-10-19-17(13)23-12-18(8-9-18)20-16(22)14(2)15-7-5-11-21(15)3/h4,6,10,14-15H,5,7-9,11-12H2,1-3H3,(H,20,22)/t14-,15-/m1/s1.
What are the key properties of (2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide?
(2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(3-methyl-2-pyridinyl)oxymethyl]cyclopropyl]-2-[(2R)-1-methylpyrrolidin-2-yl]propanamide is sourced from PubChem (CID 156875505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).