4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide

C13H22N4O — CID 55228575

IUPAC4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC(C)CN)ccn1
InChIInChI=1S/C13H22N4O/c1-4-17(5-2)13(18)12-8-11(6-7-15-12)16-10(3)9-14/h6-8,10H,4-5,9,14H2,1-3H3,(H,15,16)
InChIKeySOFLHFZLFKTSSE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.32
Rot. Bonds6

About 4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide

4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide (PubChem CID 55228575) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
PubChem CID55228575
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC(C)CN)ccn1
InChIInChI=1S/C13H22N4O/c1-4-17(5-2)13(18)12-8-11(6-7-15-12)16-10(3)9-14/h6-8,10H,4-5,9,14H2,1-3H3,(H,15,16)
InChIKeySOFLHFZLFKTSSE-UHFFFAOYSA-N
XLogP1.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 43517392
methyl 2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]-3-hydroxypropanoate
CID 62006426
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide
CID 106231329
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
CID 115572227
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 114384362
N,N-diethyl-4-[[2-methyl-3-(methylamino)propyl]amino]pyridine-2-carboxamide
CID 115303183
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
CID 62926107
N,N-diethyl-4-[(1-methylcyclopropyl)amino]pyridine-2-carboxamide
CID 113485597

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide (CID 55228575) is 4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(NC(C)CN)ccn1.
What is the InChIKey of 4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide?
The InChIKey is SOFLHFZLFKTSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17(5-2)13(18)12-8-11(6-7-15-12)16-10(3)9-14/h6-8,10H,4-5,9,14H2,1-3H3,(H,15,16).
What are the key properties of 4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide?
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 55228575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).