N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide

C18H22N4O2 — CID 87009765

IUPACN,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
SMILESCc1cccc(CNC(=O)Nc2cc(C(=O)N(C)C)ccc2C)n1
InChIInChI=1S/C18H22N4O2/c1-12-8-9-14(17(23)22(3)4)10-16(12)21-18(24)19-11-15-7-5-6-13(2)20-15/h5-10H,11H2,1-4H3,(H2,19,21,24)
InChIKeyJZQALCPPWARNSL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.72
Rot. Bonds4

About N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide

N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide (PubChem CID 87009765) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
PubChem CID87009765
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
SMILESCc1cccc(CNC(=O)Nc2cc(C(=O)N(C)C)ccc2C)n1
InChIInChI=1S/C18H22N4O2/c1-12-8-9-14(17(23)22(3)4)10-16(12)21-18(24)19-11-15-7-5-6-13(2)20-15/h5-10H,11H2,1-4H3,(H2,19,21,24)
InChIKeyJZQALCPPWARNSL-UHFFFAOYSA-N
XLogP2.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
CID 78892807
N,N-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 78955998
1-(2,3-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47456806
N,N-dimethyl-3-[2-[[N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111668850
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
CID 87009612
ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87044649
N,N,4-trimethyl-3-(pentan-2-ylcarbamoylamino)benzamide
CID 47041438
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63158193
1-(2-methoxy-3-pyridinyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47260319
N,N,4-trimethyl-3-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119719084

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide?
The IUPAC name of N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide (CID 87009765) is N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide?
The canonical SMILES for N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide is Cc1cccc(CNC(=O)Nc2cc(C(=O)N(C)C)ccc2C)n1.
What is the InChIKey of N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide?
The InChIKey is JZQALCPPWARNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-8-9-14(17(23)22(3)4)10-16(12)21-18(24)19-11-15-7-5-6-13(2)20-15/h5-10H,11H2,1-4H3,(H2,19,21,24).
What are the key properties of N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide?
N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide is sourced from PubChem (CID 87009765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).