N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide

C16H26N4O3 — CID 119052985

IUPACN-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide
SMILESCOc1cccnc1NC(=O)NC(C)(C)C(=O)NCC(C)(C)C
InChIInChI=1S/C16H26N4O3/c1-15(2,3)10-18-13(21)16(4,5)20-14(22)19-12-11(23-6)8-7-9-17-12/h7-9H,10H2,1-6H3,(H,18,21)(H2,17,19,20,22)
InChIKeyZDDYLBGVVNGXRC-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.15
Rot. Bonds5

About N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide

N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide (PubChem CID 119052985) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide
PubChem CID119052985
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide
SMILESCOc1cccnc1NC(=O)NC(C)(C)C(=O)NCC(C)(C)C
InChIInChI=1S/C16H26N4O3/c1-15(2,3)10-18-13(21)16(4,5)20-14(22)19-12-11(23-6)8-7-9-17-12/h7-9H,10H2,1-6H3,(H,18,21)(H2,17,19,20,22)
InChIKeyZDDYLBGVVNGXRC-UHFFFAOYSA-N
XLogP2.15
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 114167524
N-(3-methoxy-2-pyridinyl)prop-2-ynamide
CID 131155873
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide
CID 142435308
2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106171996
ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate
CID 11379829
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
2,2-dimethyl-N-(1,7-naphthyridin-8-ylcarbamoyl)propanamide
CID 3684737
N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237892

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide (CID 119052985) is N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide is COc1cccnc1NC(=O)NC(C)(C)C(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide?
The InChIKey is ZDDYLBGVVNGXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-15(2,3)10-18-13(21)16(4,5)20-14(22)19-12-11(23-6)8-7-9-17-12/h7-9H,10H2,1-6H3,(H,18,21)(H2,17,19,20,22).
What are the key properties of N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide?
N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide is sourced from PubChem (CID 119052985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).