N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide

C18H22N4O2 — CID 167788110

IUPACN-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)nc1C
InChIInChI=1S/C18H22N4O2/c1-11-5-8-15(20-12(11)2)18(24)21-16-9-13(17(19)23)6-7-14(16)10-22(3)4/h5-9H,10H2,1-4H3,(H2,19,23)(H,21,24)
InChIKeyYWXKVTFDJYYMNP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.11
Rot. Bonds5

About N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide

N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide (PubChem CID 167788110) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide
PubChem CID167788110
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)nc1C
InChIInChI=1S/C18H22N4O2/c1-11-5-8-15(20-12(11)2)18(24)21-16-9-13(17(19)23)6-7-14(16)10-22(3)4/h5-9H,10H2,1-4H3,(H2,19,23)(H,21,24)
InChIKeyYWXKVTFDJYYMNP-UHFFFAOYSA-N
XLogP2.11
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide
CID 166371018
4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide
CID 167839946
4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 56806765
2-N,6-N-bis[2-[(dimethylamino)methyl]phenyl]pyridine-2,6-dicarboxamide
CID 38435626
3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
CID 71967989
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
N-(5-carbamoyl-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 23992808
4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide
CID 167902428
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
CID 86870098
4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide
CID 114484817
methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709

Frequently Asked Questions

What is the IUPAC name of N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide (CID 167788110) is N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)nc1C.
What is the InChIKey of N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide?
The InChIKey is YWXKVTFDJYYMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-5-8-15(20-12(11)2)18(24)21-16-9-13(17(19)23)6-7-14(16)10-22(3)4/h5-9H,10H2,1-4H3,(H2,19,23)(H,21,24).
What are the key properties of N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide?
N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 167788110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).