N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide

C19H24N4O2 — CID 99839674

IUPACN,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide
SMILESCc1ccc(NC(=O)NCc2ccccn2)cc1C(=O)N(C)C(C)C
InChIInChI=1S/C19H24N4O2/c1-13(2)23(4)18(24)17-11-15(9-8-14(17)3)22-19(25)21-12-16-7-5-6-10-20-16/h5-11,13H,12H2,1-4H3,(H2,21,22,25)
InChIKeyIYALRLPMWNABCC-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.19
Rot. Bonds5

About N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide

N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide (PubChem CID 99839674) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide
PubChem CID99839674
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide
SMILESCc1ccc(NC(=O)NCc2ccccn2)cc1C(=O)N(C)C(C)C
InChIInChI=1S/C19H24N4O2/c1-13(2)23(4)18(24)17-11-15(9-8-14(17)3)22-19(25)21-12-16-7-5-6-10-20-16/h5-11,13H,12H2,1-4H3,(H2,21,22,25)
InChIKeyIYALRLPMWNABCC-UHFFFAOYSA-N
XLogP3.19
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191402
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(pyridin-2-ylmethyl)urea
CID 108872536
4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 99838573
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea
CID 24664385
1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea
CID 119047435
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
1-(1,2,3-benzothiadiazol-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 71583724
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide?
The IUPAC name of N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide (CID 99839674) is N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide is Cc1ccc(NC(=O)NCc2ccccn2)cc1C(=O)N(C)C(C)C.
What is the InChIKey of N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide?
The InChIKey is IYALRLPMWNABCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)23(4)18(24)17-11-15(9-8-14(17)3)22-19(25)21-12-16-7-5-6-10-20-16/h5-11,13H,12H2,1-4H3,(H2,21,22,25).
What are the key properties of N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide?
N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide has a molecular weight of 340.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 99839674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).