N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide

C13H19N3O2 — CID 54318280

IUPACN-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide
SMILESCc1ncc(OC[C@@H]2CCCN2C)cc1NC=O
InChIInChI=1S/C13H19N3O2/c1-10-13(15-9-17)6-12(7-14-10)18-8-11-4-3-5-16(11)2/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeySPTZYAQXKCUIKR-NSHDSACASA-N
MW249.31 g/mol
LogP1.43
Rot. Bonds5

About N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide

N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide (PubChem CID 54318280) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide
PubChem CID54318280
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide
SMILESCc1ncc(OC[C@@H]2CCCN2C)cc1NC=O
InChIInChI=1S/C13H19N3O2/c1-10-13(15-9-17)6-12(7-14-10)18-8-11-4-3-5-16(11)2/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeySPTZYAQXKCUIKR-NSHDSACASA-N
XLogP1.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide?
The IUPAC name of N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide (CID 54318280) is N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide.
What is the SMILES notation for N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide?
The canonical SMILES for N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide is Cc1ncc(OC[C@@H]2CCCN2C)cc1NC=O.
What is the InChIKey of N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide?
The InChIKey is SPTZYAQXKCUIKR-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-13(15-9-17)6-12(7-14-10)18-8-11-4-3-5-16(11)2/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide?
N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide has a molecular weight of 249.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]formamide is sourced from PubChem (CID 54318280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).