N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide

C18H25N5O2 — CID 55680518

IUPACN,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C18H25N5O2/c1-20(2)18(25)14-22-8-5-7-21(10-11-22)13-15-12-17(24)23-9-4-3-6-16(23)19-15/h3-4,6,9,12H,5,7-8,10-11,13-14H2,1-2H3
InChIKeyVVLYEPTXPMPRJE-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.29
Rot. Bonds4

About N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide

N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 55680518) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
PubChem CID55680518
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C18H25N5O2/c1-20(2)18(25)14-22-8-5-7-21(10-11-22)13-15-12-17(24)23-9-4-3-6-16(23)19-15/h3-4,6,9,12H,5,7-8,10-11,13-14H2,1-2H3
InChIKeyVVLYEPTXPMPRJE-UHFFFAOYSA-N
XLogP0.29
TPSA61.16 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 ≤ 50.29
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-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide (CID 55680518) is N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide is CN(C)C(=O)CN1CCCN(Cc2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is VVLYEPTXPMPRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-20(2)18(25)14-22-8-5-7-21(10-11-22)13-15-12-17(24)23-9-4-3-6-16(23)19-15/h3-4,6,9,12H,5,7-8,10-11,13-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide?
N,N-dimethyl-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 0.29, 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-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 55680518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).