N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide

C17H20N4O2 — CID 166295293

IUPACN,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide
SMILESCC1CCNC(=O)c2cc(-c3cncc(C(=O)N(C)C)c3)cn21
InChIInChI=1S/C17H20N4O2/c1-11-4-5-19-16(22)15-7-14(10-21(11)15)12-6-13(9-18-8-12)17(23)20(2)3/h6-11H,4-5H2,1-3H3,(H,19,22)
InChIKeyCHXVKCLEKMXGEZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.95
Rot. Bonds2

About N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide

N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide (PubChem CID 166295293) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide
PubChem CID166295293
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide
SMILESCC1CCNC(=O)c2cc(-c3cncc(C(=O)N(C)C)c3)cn21
InChIInChI=1S/C17H20N4O2/c1-11-4-5-19-16(22)15-7-14(10-21(11)15)12-6-13(9-18-8-12)17(23)20(2)3/h6-11H,4-5H2,1-3H3,(H,19,22)
InChIKeyCHXVKCLEKMXGEZ-UHFFFAOYSA-N
XLogP1.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2-[5-[5-(dimethylcarbamoyl)-3-pyridinyl]-3-pyridinyl]oxolane-3-carboxylic acid
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5-[4-(2-aminoethyl)phenyl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 163341505
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N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119552361
5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 166915002
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
N,N-dimethyl-5-propan-2-ylpyridine-3-carboxamide
CID 59135268
5-phenyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119824704
5-ethynyl-N,N-dimethylpyridine-3-carboxamide
CID 130118726

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide (CID 166295293) is N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide is CC1CCNC(=O)c2cc(-c3cncc(C(=O)N(C)C)c3)cn21.
What is the InChIKey of N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide?
The InChIKey is CHXVKCLEKMXGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-4-5-19-16(22)15-7-14(10-21(11)15)12-6-13(9-18-8-12)17(23)20(2)3/h6-11H,4-5H2,1-3H3,(H,19,22).
What are the key properties of N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide?
N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(5-methyl-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166295293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).