4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide

C17H20N4O3 — CID 154770265

IUPAC4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)N(Cc2ccoc2)C2CC2)ccn1
InChIInChI=1S/C17H20N4O3/c1-20(2)16(22)15-9-13(5-7-18-15)19-17(23)21(14-3-4-14)10-12-6-8-24-11-12/h5-9,11,14H,3-4,10H2,1-2H3,(H,18,19,23)
InChIKeyIAEDNCAMEFDBDG-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.57
Rot. Bonds5

About 4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide

4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 154770265) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID154770265
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)N(Cc2ccoc2)C2CC2)ccn1
InChIInChI=1S/C17H20N4O3/c1-20(2)16(22)15-9-13(5-7-18-15)19-17(23)21(14-3-4-14)10-12-6-8-24-11-12/h5-9,11,14H,3-4,10H2,1-2H3,(H,18,19,23)
InChIKeyIAEDNCAMEFDBDG-UHFFFAOYSA-N
XLogP2.57
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-(furan-3-ylmethyl)-3-[(1-methyltriazol-4-yl)methyl]urea
CID 138023096
1-cyclopropyl-3-(6-cyclopropylpyridazin-3-yl)-1-(furan-3-ylmethyl)urea
CID 146138751
ethyl N-[4-[[cyclohexyl(furan-3-ylmethyl)carbamoyl]amino]phenyl]-N-methylcarbamate
CID 75449793
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116
1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea
CID 71868361
N,N-dimethyl-4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxamide
CID 79110565
4-(dicyclopropylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61482684
3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea
CID 24535898
4-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 115620851
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-N,N-dimethylpyridine-2-carboxamide
CID 75507305

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide (CID 154770265) is 4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(NC(=O)N(Cc2ccoc2)C2CC2)ccn1.
What is the InChIKey of 4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is IAEDNCAMEFDBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20(2)16(22)15-9-13(5-7-18-15)19-17(23)21(14-3-4-14)10-12-6-8-24-11-12/h5-9,11,14H,3-4,10H2,1-2H3,(H,18,19,23).
What are the key properties of 4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide?
4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(furan-3-ylmethyl)carbamoyl]amino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 154770265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).