N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

C18H25N5O2 — CID 110269716

IUPACN-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(CC2COCCN(Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-19-18(24)17-5-3-4-16(21-17)8-14-11-23(6-7-25-13-14)12-15-9-20-22(2)10-15/h3-5,9-10,14H,6-8,11-13H2,1-2H3,(H,19,24)
InChIKeyDOCSXFUFBXMAPJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.87
Rot. Bonds5

About N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 110269716) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
PubChem CID110269716
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(CC2COCCN(Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-19-18(24)17-5-3-4-16(21-17)8-14-11-23(6-7-25-13-14)12-15-9-20-22(2)10-15/h3-5,9-10,14H,6-8,11-13H2,1-2H3,(H,19,24)
InChIKeyDOCSXFUFBXMAPJ-UHFFFAOYSA-N
XLogP0.87
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-[[(6R)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125023242
N-methyl-6-[[(6S)-4-(thiophen-2-ylmethyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125023241
4-[(1-methylpyrazol-4-yl)methyl]-6-[(2-methylpyrimidin-4-yl)methyl]-1,4-oxazepane
CID 102604299
(6R)-6-(1-benzofuran-4-ylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepane
CID 125004707
4-[[(6S)-6-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]phenol
CID 95847976
(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-phenoxy-1,4-oxazepane
CID 75367720
N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95841014
5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 95842649
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
(6S)-4-(1H-imidazol-5-ylmethyl)-6-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
CID 95847960
(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124968837
N-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide
CID 72925890

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (CID 110269716) is N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is CNC(=O)c1cccc(CC2COCCN(Cc3cnn(C)c3)C2)n1.
What is the InChIKey of N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The InChIKey is DOCSXFUFBXMAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-19-18(24)17-5-3-4-16(21-17)8-14-11-23(6-7-25-13-14)12-15-9-20-22(2)10-15/h3-5,9-10,14H,6-8,11-13H2,1-2H3,(H,19,24).
What are the key properties of N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110269716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).