6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide

C18H21N5O2 — CID 138025940

IUPAC6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)NC(c2ccccn2)C2CC2)nc1
InChIInChI=1S/C18H21N5O2/c1-23(2)17(24)13-8-9-15(20-11-13)21-18(25)22-16(12-6-7-12)14-5-3-4-10-19-14/h3-5,8-12,16H,6-7H2,1-2H3,(H2,20,21,22,25)
InChIKeyWDCWJXCWZRJASH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.45
Rot. Bonds5

About 6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide

6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 138025940) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID138025940
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)NC(c2ccccn2)C2CC2)nc1
InChIInChI=1S/C18H21N5O2/c1-23(2)17(24)13-8-9-15(20-11-13)21-18(25)22-16(12-6-7-12)14-5-3-4-10-19-14/h3-5,8-12,16H,6-7H2,1-2H3,(H2,20,21,22,25)
InChIKeyWDCWJXCWZRJASH-UHFFFAOYSA-N
XLogP2.45
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide (CID 138025940) is 6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NC(=O)NC(c2ccccn2)C2CC2)nc1.
What is the InChIKey of 6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is WDCWJXCWZRJASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-23(2)17(24)13-8-9-15(20-11-13)21-18(25)22-16(12-6-7-12)14-5-3-4-10-19-14/h3-5,8-12,16H,6-7H2,1-2H3,(H2,20,21,22,25).
What are the key properties of 6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide?
6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl(pyridin-2-yl)methyl]carbamoylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 138025940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).