formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

C11H17N3O — CID 175000566

IUPACformamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1c1cccnc1.NC=O
InChIInChI=1S/C10H14N2.CH3NO/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2-1-3/h2,4,6,8,10H,3,5,7H2,1H3;1H,(H2,2,3)/t10-;/m0./s1
InChIKeyPAKSWDSHXMEOMS-PPHPATTJSA-N
MW207.28 g/mol
LogP0.95
Rot. Bonds1

About formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 175000566) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Nameformamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID175000566
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameformamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1c1cccnc1.NC=O
InChIInChI=1S/C10H14N2.CH3NO/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2-1-3/h2,4,6,8,10H,3,5,7H2,1H3;1H,(H2,2,3)/t10-;/m0./s1
InChIKeyPAKSWDSHXMEOMS-PPHPATTJSA-N
XLogP0.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217

Frequently Asked Questions

What is the IUPAC name of formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 175000566) is formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine is CN1CCC[C@H]1c1cccnc1.NC=O.
What is the InChIKey of formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is PAKSWDSHXMEOMS-PPHPATTJSA-N. The full InChI is InChI=1S/C10H14N2.CH3NO/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2-1-3/h2,4,6,8,10H,3,5,7H2,1H3;1H,(H2,2,3)/t10-;/m0./s1.
What are the key properties of formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 207.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 175000566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).