N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide

C13H22N4O — CID 82331288

IUPACN-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCc1ccnc(NCCNC(=O)C(C)(C)C)c1N
InChIInChI=1S/C13H22N4O/c1-9-5-6-15-11(10(9)14)16-7-8-17-12(18)13(2,3)4/h5-6H,7-8,14H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyBNFXRTCHUWDTNO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.55
Rot. Bonds4

About N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide

N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 82331288) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID82331288
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCc1ccnc(NCCNC(=O)C(C)(C)C)c1N
InChIInChI=1S/C13H22N4O/c1-9-5-6-15-11(10(9)14)16-7-8-17-12(18)13(2,3)4/h5-6H,7-8,14H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyBNFXRTCHUWDTNO-UHFFFAOYSA-N
XLogP1.55
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-[(3-sulfamoyl-2-pyridinyl)amino]ethyl]propanamide
CID 133326821
2-[(3-amino-4-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 113405011
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66170315
N-[3-[(3-amino-4-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 82331271
5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154628
N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331443
N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 106875503
2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine
CID 106215731
2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251492
3-amino-2-[2-(carbamoylamino)ethylamino]pyridine-4-carboxylic acid
CID 83114653
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 65034190
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106394129

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide (CID 82331288) is N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide is Cc1ccnc(NCCNC(=O)C(C)(C)C)c1N.
What is the InChIKey of N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is BNFXRTCHUWDTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-5-6-15-11(10(9)14)16-7-8-17-12(18)13(2,3)4/h5-6H,7-8,14H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82331288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).