4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide

C16H21N3O2 — CID 60704722

IUPAC4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCC(CCc1ccco1)Nc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-12(6-7-14-5-4-10-21-14)18-13-8-9-17-15(11-13)16(20)19(2)3/h4-5,8-12H,6-7H2,1-3H3,(H,17,18)
InChIKeyANQUUTNCLWOBKC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.81
Rot. Bonds6

About 4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide

4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 60704722) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID60704722
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCC(CCc1ccco1)Nc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-12(6-7-14-5-4-10-21-14)18-13-8-9-17-15(11-13)16(20)19(2)3/h4-5,8-12H,6-7H2,1-3H3,(H,17,18)
InChIKeyANQUUTNCLWOBKC-UHFFFAOYSA-N
XLogP2.81
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(furan-2-yl)propan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 61043893
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide
CID 43478876
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 106357616
[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225
N,N-dimethyl-4-(1-pyridin-2-ylethylamino)pyridine-2-carboxamide
CID 43397218
4-[1-(furan-2-yl)propan-2-ylamino]pyridine-2-carbothioamide
CID 62925916
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737
4-[(2-hydroxy-1-phenylethyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63182907
2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide
CID 43695320
N,N-dimethyl-4-(1-thiophen-2-ylethylamino)pyridine-2-carboxamide
CID 43402714

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide (CID 60704722) is 4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide is CC(CCc1ccco1)Nc1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of 4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is ANQUUTNCLWOBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(6-7-14-5-4-10-21-14)18-13-8-9-17-15(11-13)16(20)19(2)3/h4-5,8-12H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide?
4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 60704722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).