N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide

C25H33N5O3 — CID 166886559

IUPACN-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide
SMILESCC(=O)CC/N=c1\cc(N2CCOc3cc(C(=O)N(C)CC4CCCC4)cnc32)ccn1C
InChIInChI=1S/C25H33N5O3/c1-18(31)8-10-26-23-15-21(9-11-28(23)2)30-12-13-33-22-14-20(16-27-24(22)30)25(32)29(3)17-19-6-4-5-7-19/h9,11,14-16,19H,4-8,10,12-13,17H2,1-3H3/b26-23+
InChIKeyYQRUGWLFHXJBCL-WNAAXNPUSA-N
MW451.57 g/mol
LogP3.09
Rot. Bonds7

About N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide

N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide (PubChem CID 166886559) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide
PubChem CID166886559
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC NameN-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide
SMILESCC(=O)CC/N=c1\cc(N2CCOc3cc(C(=O)N(C)CC4CCCC4)cnc32)ccn1C
InChIInChI=1S/C25H33N5O3/c1-18(31)8-10-26-23-15-21(9-11-28(23)2)30-12-13-33-22-14-20(16-27-24(22)30)25(32)29(3)17-19-6-4-5-7-19/h9,11,14-16,19H,4-8,10,12-13,17H2,1-3H3/b26-23+
InChIKeyYQRUGWLFHXJBCL-WNAAXNPUSA-N
XLogP3.09
TPSA80.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide (CID 166886559) is N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide is CC(=O)CC/N=c1\cc(N2CCOc3cc(C(=O)N(C)CC4CCCC4)cnc32)ccn1C.
What is the InChIKey of N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
The InChIKey is YQRUGWLFHXJBCL-WNAAXNPUSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-18(31)8-10-26-23-15-21(9-11-28(23)2)30-12-13-33-22-14-20(16-27-24(22)30)25(32)29(3)17-19-6-4-5-7-19/h9,11,14-16,19H,4-8,10,12-13,17H2,1-3H3/b26-23+.
What are the key properties of N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-methyl-4-[1-methyl-2-(3-oxobutylimino)-4-pyridinyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide is sourced from PubChem (CID 166886559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).