carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide

C11H16LrN2O-2 — CID 170581096

IUPACcarbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide
SMILESCC(C)NC(=O)Cc1[c-]cncc1.[CH3-].[Lr]
InChIInChI=1S/C10H13N2O.CH3.Lr/c1-8(2)12-10(13)7-9-3-5-11-6-4-9;;/h3,5-6,8H,7H2,1-2H3,(H,12,13);1H3;/q2*-1;
InChIKeyDGCWQDWIMVUPFW-UHFFFAOYSA-N
MW454.26 g/mol
LogP1.40
Rot. Bonds3

About carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide

carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide (PubChem CID 170581096) has the molecular formula C11H16LrN2O-2 and a molecular weight of 454.26 g/mol. Its IUPAC name is carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide.

Molecular Properties

Compound Namecarbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide
PubChem CID170581096
Molecular FormulaC11H16LrN2O-2
Molecular Weight454.26 g/mol
Exact Mass454.24
IUPAC Namecarbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide
SMILESCC(C)NC(=O)Cc1[c-]cncc1.[CH3-].[Lr]
InChIInChI=1S/C10H13N2O.CH3.Lr/c1-8(2)12-10(13)7-9-3-5-11-6-4-9;;/h3,5-6,8H,7H2,1-2H3,(H,12,13);1H3;/q2*-1;
InChIKeyDGCWQDWIMVUPFW-UHFFFAOYSA-N
XLogP1.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(6,7-dihydroisoquinolin-6-yl)acetamide
CID 160361254
3-(1-Amino-3-methyliminoprop-1-en-2-yl)-1-propan-2-ylpyridin-2-one
CID 174243400
N-[(Z)-3-(ethenyliminomethyl)pent-3-enyl]-2,2-dimethylpropanamide
CID 143529170
N-cyclohexyl-2-[(1E,5E,7Z,9E)-7-ethylidenedodeca-1,5,9-trienyl]iminoacetamide
CID 144217115
(2E,3Z)-N-ethyl-2,3-bis(prop-2-enylidene)pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide?
The IUPAC name of carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide (CID 170581096) is carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide.
What is the SMILES notation for carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide?
The canonical SMILES for carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide is CC(C)NC(=O)Cc1[c-]cncc1.[CH3-].[Lr].
What is the InChIKey of carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide?
The InChIKey is DGCWQDWIMVUPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O.CH3.Lr/c1-8(2)12-10(13)7-9-3-5-11-6-4-9;;/h3,5-6,8H,7H2,1-2H3,(H,12,13);1H3;/q2*-1;.
What are the key properties of carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide?
carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide has a molecular weight of 454.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;lawrencium;N-propan-2-yl-2-(3H-pyridin-3-id-4-yl)acetamide is sourced from PubChem (CID 170581096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).