N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide

C19H31N5O2 — CID 131899446

IUPACN-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
SMILESCc1cc(N2CCCN(C(=O)NC(C(=O)N(C)C)C(C)C)CC2)ccn1
InChIInChI=1S/C19H31N5O2/c1-14(2)17(18(25)22(4)5)21-19(26)24-10-6-9-23(11-12-24)16-7-8-20-15(3)13-16/h7-8,13-14,17H,6,9-12H2,1-5H3,(H,21,26)
InChIKeyFTYQVOJSPYXKND-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.72
Rot. Bonds4

About N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide

N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide (PubChem CID 131899446) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
PubChem CID131899446
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
SMILESCc1cc(N2CCCN(C(=O)NC(C(=O)N(C)C)C(C)C)CC2)ccn1
InChIInChI=1S/C19H31N5O2/c1-14(2)17(18(25)22(4)5)21-19(26)24-10-6-9-23(11-12-24)16-7-8-20-15(3)13-16/h7-8,13-14,17H,6,9-12H2,1-5H3,(H,21,26)
InChIKeyFTYQVOJSPYXKND-UHFFFAOYSA-N
XLogP1.72
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-(1-cyclohexylethyl)-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 122565554
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119058491
2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 72853718
N-[(2S)-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
CID 91785147
4-(2-methyl-4-pyridinyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane-1-carboxamide
CID 30876977
[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 138809548
2-methoxy-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 70736871
3,4-dihydro-2H-chromen-2-yl-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 70710470
[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97189052
(2S)-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 95203227
1-methyl-4-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
CID 70725845
4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide (CID 131899446) is N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide is Cc1cc(N2CCCN(C(=O)NC(C(=O)N(C)C)C(C)C)CC2)ccn1.
What is the InChIKey of N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide?
The InChIKey is FTYQVOJSPYXKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(2)17(18(25)22(4)5)21-19(26)24-10-6-9-23(11-12-24)16-7-8-20-15(3)13-16/h7-8,13-14,17H,6,9-12H2,1-5H3,(H,21,26).
What are the key properties of N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide?
N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 131899446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).