3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide

C13H18N4O — CID 143564697

IUPAC3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
SMILES[H]/N=C(\CC(=O)N[C@@H]1CCN(C)C1)c1cccnc1
InChIInChI=1S/C13H18N4O/c1-17-6-4-11(9-17)16-13(18)7-12(14)10-3-2-5-15-8-10/h2-3,5,8,11,14H,4,6-7,9H2,1H3,(H,16,18)/b14-12+/t11-/m1/s1
InChIKeyVFWIQYKVCGOGEV-UWYSJPFYSA-N
MW246.31 g/mol
LogP0.66
Rot. Bonds4

About 3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide

3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide (PubChem CID 143564697) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
PubChem CID143564697
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
SMILES[H]/N=C(\CC(=O)N[C@@H]1CCN(C)C1)c1cccnc1
InChIInChI=1S/C13H18N4O/c1-17-6-4-11(9-17)16-13(18)7-12(14)10-3-2-5-15-8-10/h2-3,5,8,11,14H,4,6-7,9H2,1H3,(H,16,18)/b14-12+/t11-/m1/s1
InChIKeyVFWIQYKVCGOGEV-UWYSJPFYSA-N
XLogP0.66
TPSA69.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of 3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide (CID 143564697) is 3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for 3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide is [H]/N=C(\CC(=O)N[C@@H]1CCN(C)C1)c1cccnc1.
What is the InChIKey of 3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is VFWIQYKVCGOGEV-UWYSJPFYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-6-4-11(9-17)16-13(18)7-12(14)10-3-2-5-15-8-10/h2-3,5,8,11,14H,4,6-7,9H2,1H3,(H,16,18)/b14-12+/t11-/m1/s1.
What are the key properties of 3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide?
3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 143564697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).