N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide

C18H25N5O2 — CID 97390065

IUPACN,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide
SMILESCN(C)C(=O)Cn1c2c(ccc1=O)CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C18H25N5O2/c1-20(2)18(25)13-23-16-7-9-22(12-14-10-19-21(3)11-14)8-6-15(16)4-5-17(23)24/h4-5,10-11H,6-9,12-13H2,1-3H3
InChIKeyXQZWBQGFHXCOGW-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.27
Rot. Bonds4

About N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide

N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide (PubChem CID 97390065) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide
PubChem CID97390065
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide
SMILESCN(C)C(=O)Cn1c2c(ccc1=O)CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C18H25N5O2/c1-20(2)18(25)13-23-16-7-9-22(12-14-10-19-21(3)11-14)8-6-15(16)4-5-17(23)24/h4-5,10-11H,6-9,12-13H2,1-3H3
InChIKeyXQZWBQGFHXCOGW-UHFFFAOYSA-N
XLogP0.27
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide (CID 97390065) is N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide is CN(C)C(=O)Cn1c2c(ccc1=O)CCN(Cc1cnn(C)c1)CC2.
What is the InChIKey of N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide?
The InChIKey is XQZWBQGFHXCOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-20(2)18(25)13-23-16-7-9-22(12-14-10-19-21(3)11-14)8-6-15(16)4-5-17(23)24/h4-5,10-11H,6-9,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide?
N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide is sourced from PubChem (CID 97390065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).